./db.backup output for 264: (Cs2AgInCl6)4 (Fm-3m) ~ Cs2InAgCl6_mp-1096926_symmetrized.cif (VASP)

Status: finished

job.id 264
job.name {(Cs2AgInCl6)4  (Fm-3m) ~ Cs2InAgCl6_mp-1096926_symmetrized.cif  (VASP)}
job.description {
}
job.status pending
job.submitted {2024-09-13 11:29:57}
job.started {0000-00-00 00:00:00}
job.finished {0000-00-00 00:00:00}
job.queue 1
job.errormsg {}
job.pid 0
job.userid 3
job.priority 5
job.jobserverid 2
data.joboptions {_protocol_type_ JobControl _description_ {} passwd {} _name_ {} qs_options {} nproc 64 priority 5 _protocol_id_ 0 _protocol_pid_ 0 _version_ 1.1 context {} user pzgft}
data.script {#
# Basic script for running batch jobs
#

package require logger
package require MD::Stage
package require MD::TaskManager
package require MD.Results
package require memory
package require MD::Workspace
package require jobcontrol
package require JobOptions
package require base64
package require md5
proc task {args} {}
namespace eval ::MD {}

logger::setlevel notice
set gLog [logger::init MD]
::logger::import -all -prefix "log_" -namespace ::MD MD

#
# Get the version of the Jobs database in use
#
set JobDBVersion [join [db "SELECT value FROM info WHERE item ='Version'"]]

# If we want to start child jobs, we need a jobcontrol object, on the localhost
Jobcontrol::JobcontrolProxy ::jobcontrol

#
# The workspace
#
set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'workspace'"] 0]]
::MD::Workspace ::workspace
::workspace fromString $tmp


#
# Any input files?
#
set lfiles ""
if {[catch {
    set lfiles [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'input_file'"]]
} err_msg]} {
    error "Failed while getting input files:\n $err_msg"
}

set linput_files ""
foreach elem $lfiles {
    set fname [file join [pwd]  [lindex $elem 0]]
    set stage_id  [lindex $elem 1]
    set fdata [lindex $elem 2]
    # See if this is base64 encoded
    if {![catch {set decode64_data  [::base64::decode $fdata]}]} {
       # Succesfully decoded from base64
       set fdata $decode64_data
       unset decode64_data
    }

    if {[catch {
	set fd [open $fname "w"]
	fconfigure $fd -encoding binary -translation binary
	puts -nonewline $fd $fdata
	close $fd
    } err_msg]} {
	error "Failed to write Job input file $fname:\n $err_msg"
    }
    unset fdata
    lappend linput_files [list $stage_id $fname]
}

#
# Get info about this job
#
if {$JobDBVersion < 3.0} {
    set jdata [join [db "SELECT name, queue, userid, priority, jobserverid FROM job WHERE id = $::job::id"]]
    set ::job::name     [lindex $jdata 0]
    set ::job::queueid  [lindex $jdata 1]
    set ::job::userid   [lindex $jdata 2]
    set ::job::priority [lindex $jdata 3]
    set ::job::parent   0
} else {
    set jdata [join [db "SELECT name, queue, userid, priority, jobserverid, parent FROM job WHERE id = $::job::id"]]
    set ::job::name     [lindex $jdata 0]
    set ::job::queueid  [lindex $jdata 1]
    set ::job::userid   [lindex $jdata 2]
    set ::job::priority [lindex $jdata 3]
    set ::job::parent   [lindex $jdata 5]
}
set ::job::username ""
set ::job::queue ""
if {[string is integer -strict $::job::userid]} {
    # Get the username from the user id
    if {[catch {set ::job::username [join [db "SELECT name FROM user WHERE id = $::job::userid"]]}]} {
	set ::job::username [join [db "SELECT name FROM \[user\] WHERE id = $::job::userid"]]
    }
}
if {[string is integer -strict $::job::queueid]} {
    # Get the queue name  from the queue id
    set ::job::queue [join [join [db "SELECT name FROM queue WHERE id = $::job::queueid"]]]
}

#
# Get the nproc option in order to pass it along to subjobs if any
#
set ::job::nproc 1
set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'joboptions'"] 0]]
foreach {opt_name opt_value} $tmp {
   if {$opt_name == "nproc"} {
      set ::job::nproc $opt_value
   }
}


#
# Set up information about the job in the workspace
#

::workspace eval namespace eval ::job [list set id $::job::id]
::workspace eval [list set ::job::parent $::job::parent]
::workspace eval [list set ::job::serverId [info hostname]]
::workspace eval [list set ::job::dir [pwd]]
::workspace eval [list set ::job::name     [join $::job::name "_"]]
::workspace eval [list set ::job::queueid  $::job::queueid]
::workspace eval [list set ::job::queue    $::job::queue]
::workspace eval [list set ::job::userid   $::job::userid]
::workspace eval [list set ::job::username $::job::username]
::workspace eval [list set ::job::priority $::job::priority]
::workspace eval [list set ::job::nproc    $::job::nproc]

# Prepare a list of command to execute from the calling job.
::workspace eval [::list set ::subjob_commands ""]

#
# And forcefield, if required
#
set ff_local [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_local'"]]
if {[::workspace eval {info exists __fffile}]} {
    package require MD::FF
    ::MD::FF ::FF
    ::FF configure -silent 1
    catch {
	if {$ff_local != ""} {
	    # Load a local forcefield
	    set fname [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_file'"]]
	    if {[string range $fname 0 0] == "\{"} {
		set fname [join $fname]
	    }
	    set fdata [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_content'"]]
	    if {[string range $fdata 0 0] == "\{"} {
		set fdata [join $fdata]
	    }

	    # See if this is base64 encoded
	    if {![catch {set decode64_data  [::base64::decode $fdata]}]} {
		# Succesfully decoded from base64
		set fdata $decode64_data
		unset decode64_data
	    }

	    set fd [open $fname "w"]
	    puts -nonewline $fd $fdata
	    close $fd
	    ::FF readFF [file join [pwd] $fname]
	    ::FF configure -forcefield $ff_local

	    # Update the workspace for sub-jobs if any
	    ::workspace eval [list set __fffile [::FF fffile]]
	    ::workspace eval [list set __ff $ff_local]
	} else {
	    # Setup a forcefield from Forcefield.kit
	    set __fffile [::workspace eval {set __fffile}]
	    ::FF readFF $__fffile
	    set __ff [::workspace eval {set __ff}]
	    ::FF configure -forcefield $__ff
	}
	set ::FF ::FF

	set fdata ""
	# On old JS the ff_file_content might not be available
	catch {set fdata [::FF ff_file_content]}
	if {$fdata != ""} {
	    set ffmd5 [::md5::md5 -hex $fdata]
	    unset fdata		
	    set cur_ff [::FF cget -forcefield]
	    set cur_file [::FF fffile]
	    puts "\nForcefield set to:   $cur_ff\n  File: $cur_file \t md5 sum: $ffmd5\n"
	}
    }
}

#
# The stages, ignoring everything else like the flowchart
#

set ok 0
set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'flowchart'"] 0]]
if {[string length $tmp] > 2} {	  
    foreach {item data} $tmp {
	switch $item {
	    "StageHandler" {
		::MD::Stage::Handler stageHandler -workspace ::workspace
		stageHandler fromString $data
		set ok 1
	    }
	}
    }
} else {
    # No flowchart, but maybe a stagehandler...	
    set data [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'stagehandler'"] 0]]
 
    if {[string length $data] > 2} {
	::MD::Stage::Handler stageHandler -workspace ::workspace
	stageHandler fromString $data
	set ok 1
    }
}
unset -nocomplain tmp

if {!$ok} {
    error "Could not find the stage information!"
}

#
# Other tools that we need
#

::MD::TaskManager taskmanager
if {[file exists Job.xml]} {
    file delete -force Job.xml
}
::MD::Results::Handler Results -file Job.xml

#
# Finally, do the real work
#

set stage [stageHandler getInitialStage]
$stage configure -workspace ::workspace -workingdirectory [pwd]
$stage run 0

#
# And save any unsaved results
#

Results save

#
# Write down the final workspace if this job was started by another
#
if {$::job::parent > 0} {
    set fd [open "final_workspace.txt" "w"]
    puts $fd [::workspace toString]
    close $fd
}
}
data.StageHandler {Class ::MD::Stage::Handler
Version 1.2
Stages {
md-stage-start-4a7087e1-6fed-4024-a7da-5dfb9c665e6d {} ::MD::Stage::Start {
Class ::MD::Stage::Start
Version 1.2
Id md-stage-start-4a7087e1-6fed-4024-a7da-5dfb9c665e6d
Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .}
}
md-vasp53-stage-bdba4be2-2cda-4381-b4bd-abd50e07a15d MD::VASP53::Batch ::MD::VASP53::Stage {
Base {
Class ::MD::VASP53::Stage
Version 1.2
Id md-vasp53-stage-bdba4be2-2cda-4381-b4bd-abd50e07a15d
Options {-system {$system} -results ::Results -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -Base::system {$system} -workingdirectory .}
}
Class ::MD::VASP53::Stage
Version 1.0
VASPOptions {
	ACFDT-RPAmode 0 ActualKMesh {3 3 3} ActualKSpacings {0.349 0.349 0.349} BandStructure/_description_ {} BandStructure/_name_ {} BandStructure/_protocol_id_ 0 BandStructure/_protocol_pid_ 0 BandStructure/_protocol_type_ BandStructure BandStructure/_version_ 2.1 BandStructure/explicitpath 0 BandStructure/labels {} BandStructure/maxpoints 40 BandStructure/module VASP BandStructure/npertask 40 BandStructure/npoints {} BandStructure/symmetrypoints {} BandStructure/vertices {} DimerVASP 0 FFTcharges 0 GW_ismear Gaussian GW_metals 0 GW_mporder 1 GW_sigma 0.2 GW_sigmaGauss 0.05 GWalgorithm {eigenvalues for G (GW0)} GWcalc {quasiparticle shifts} GWmode 0 Gshift 1 HF_Gshift 1 HF_amix 0.2 HF_bstr_kmesh {as for non-local exchange} HF_kInputmode {set spacing between k-points} HF_kPointMode 0 HF_kSpacing 0.5 HF_nk1_base 3 HF_nk2_base 3 HF_nk3_base 3 HF_nkodd 0 HF_nkx 4 HF_nky 4 HF_nkz 4 HF_timestep 0.4 HF_timestep_initial 0.4 NEBinVASP 0 TDHFmode 0 _description_ {} _name_ {} _protocol_id_ 0 _protocol_pid_ 0 _protocol_type_ VASP _version_ 2.4 acfdt-rpa_metals 0 addgrid 0 algo {Damped molecular dynamics} algoHF {Damped molecular dynamics} amix 0.2 apaco {} apply_localization immediately apply_solvation 0 backgroundCharge 0 bandstructure 0 cshift 0.1 cshiftGW {} default_encut 262.472 delayeach 0 description {} displacement 0.015 displacement_number 1 dos 0 dos_Gshift 1 dos_ismear {Tetrahedron method} dos_kInputmode {set spacing between k-points} dos_kSpacing 0.25 dos_mporder 1 dos_nkodd 0 dos_nkx 9 dos_nkxmult 2 dos_nky 9 dos_nkymult 2 dos_nkz 9 dos_nkzmult 2 dos_projection {automatic choice} dos_sigma 0.2 dos_sigmaGauss 0.05 ediff 1.0e-05 ediffg -0.02 efield 0 efield_dir none elastic 0 elements_sites elements emax {} emin {} enaug {} encut {} encutGW {} encut_nmr {} engine standard explicitKPoints 0 extrainput {} file_return Normal fixcharg 0 functional Meta-GGA hybrid_functional HSE06 ibrion -1 icharg {Atomic charge densities} images 3 increase_encut 0 initialDimerDir {} iniwav {Random numbers} isif {} ismear Methfessel-Paxton ispin 0 istart 0 isym {} iwave {from scratch} iwaveder 0 iwtmp 0 j_parameter {} kInputmode {set spacing between k-points} kSpacing 0.5 kblock {} kpoints {} l_parameter {} laechg 0 lcharg 0 ldapu {Standard LDA or GGA} lefg 0 lelf 0 lepsilon 0 lhyperfine 0 lmaxHF {lmax = 4} lmaxaeGW {full shape up to lmax = 4} localization_ediff 1.0e-03 localization_steps 10 lpead 0 lreal {Reciprocal space} lscalapack 0 lsol 0 lspectral 1 lvhar 1 lvtot 0 lwave 0 lwaveder 0 magmom 1 magnetism {Defined by model} maxbandpoints 40 meta-GGA MBJLDA mporder 1 napaco {} nbands {} nbandsGW {} nbands_GW {} nbands_TDHF {} nbands_occ {} nbands_opt {} nbands_unocc {} nblk {} nblock 1 nedos 3000 nelm 60 nelmGW 4 nelmdl {} nelmin 2 nfree 2 ngx 0 ngy 0 ngz 0 nkodd 0 nkx 4 nkxmult 1 nky 4 nkymult 1 nkz 4 nkzmult 1 nmr 0 nmr_maxkpoints 10 nomega 50 nomega_acfdt 12 nomega_tdhf 50 nosymmetry 0 nsw 0 nuj {} nwrite 1 oddonlyGW 0 optical_matrix_elements 0 optics 0 phonons_ismear Methfessel-Paxton phonons_mporder 1 phonons_sigma 0.2 phonons_sigmaGauss 0.05 poscar_filename {} potentials {GGA-PBE PAW {17 Cl 49 {In d} 55 {Cs sv} 47 Ag}} potim {} prec Normal precision Normal precisionHF Normal precsym 1.0E-05 pressure 0 protHF_MD {DFT Single Point + Non-local Molecular Dynamics} protHF_Opt {DFT Single Point + Non-local Structure Optimization} protHF_SP {DFT Single Point + Non-local Single Point} read_poscar 0 reducedFFTHF 0 response 0 response_ismear {Tetrahedron with Bloechl corrections} response_kmesh {as for DOS and optics} response_mporder 1 response_sigma 0.2 response_sigmaGauss 0.05 restart_chg {} restart_chg_prefix {} restart_type {constant energy cutoff} restart_wave {} restart_wave_prefix {} restart_waveder {} restart_wtmp {} sigma 0.2 sigmaGauss 0.05 smass {} smass_real {} solvation_energy 0 solvent_dielectric 78.4 spinaxis_x {} spinaxis_y {} spinaxis_z {} spininterpol Vosko-Wilk-Nusair spring -5 summary {(Cs2AgInCl6)4  (Fm-3m) ~ Cs2InAgCl6_mp-1096926_symmetrized.cif  (VASP)} tebeg {} teend {} thomasFermi 1.8 thomasFermi_choice {average valence density} thomasFermi_fromDensity 1.6235326515877893 timestep 0.4 timestep_initial 0.4 totalmoment {} u-j_parameter {} u_parameter {} van_der_Waals None van_der_Waals_functional optB86b-vdW vibrations 0 voskown {} weights {} workfunction 0}
SimulationOptions {
	CSVR_timescale 1000.0 _description_ {} _name_ {} _protocol_id_ 0 _protocol_pid_ 0 _protocol_type_ Simulation _version_ 2.0 a 1 alpha 1 andersen_prob 0.1 averagefrequency 40.0 b 1 beta 1 c 1 calculation {Single Point} convergence 0.02 eachstep 0 econvergence 1.0e-03 endtemperature {} ensemble {micro canonical (nVE)} gamma 1 mintrjfile trajectory.data mintrjfrequency 1 nosemass {} npt_alpha constrain npt_aparam none npt_beta constrain npt_bparam none npt_constraints isotropic npt_cparam none npt_gamma constrain npt_monitoralpha none npt_monitoraparam none npt_monitorbeta none npt_monitorbparam none npt_monitorcparam none npt_monitorgamma none npt_monitorvolume monitor npt_volume none nsteps 100 nve_thermostat Nosé-Hoover nvt_thermostat Nosé-Hoover paircorrdistance 16.0 paircorrslots 256 pmass {} relaxalgo {Conjugate Gradient} relaxatompos 1 relaxatoms 1 relaxcell 0 relaxvolume 0 restart_md {} restart_md_prefix {} strain 0.01 strains 0.005 temperature 298.0 time 120.0 timestep 4.0 trjfile trajectory.data trjfrequency 1 use_wavecars 0 version 5.4 yinatoms {} yinyang 0
}

}
}
Connections {
md-stage-start-4a7087e1-6fed-4024-a7da-5dfb9c665e6d,md-vasp53-stage-bdba4be2-2cda-4381-b4bd-abd50e07a15d 	 1
}
}
data.workspace {Class ::MD::Workspace
Version 1.0
Packages {
	MD::Db::MaterialsDesign 1.0
	MD::Db::ICSD 1.0
	MD::Db::COD 1.0
	jobcontrol 3.0
	Thread 2.8.7
	MD::FF 1.0.1
	MD::Db 1.1
	MD::Db::Pearson 1.0
	database 1.0
	MD::Db::MetaDb 1.1
	MD::Db::NCD 1.0
	Utility 1.0
}
Variables {
	scalar ::MedeADb C:/MD/Databases/MedeA.db
	array ::Units {scalar energy kJ/mol}
	object ::system {::System {@Title Cs2InAgCl6_mp-1096926_symmetrized.cif

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Occupancy	double	1.0
	Site	int	1
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
55 {} {0.25 0.25 0.25} Cs0 1.0 1 0.0 3
49 {} {0 0 0} In1 1.0 2 0.0 1
47 {} {0.5 0.5 0.5} Ag2 1.0 3 0.001 2
17 {} {0.24390174 0.5 0.5} Cl3 1.0 4 0.0 5
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a a a F F F} {0 0 0} {10.38902576 10.38902576 10.38902576 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} Fm-3m 225 {{10.38902576 0 0} {0 10.38902576 0} {0 0 10.38902576}} {{0.09625541635 0 0} {0 0.09625541635 0} {0 0 0.09625541635}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
3 2 0 0
3 0 0 0
2 0 0 0
0 0 0 0
3 1 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 32 12 {0 0 0} 0
1 2 33 {0 0 0} 0
2 2 14 {0 0 1} 0
1 34 3 {0 0 0} 0
1 7 22 {0 0 0} 0
1 0 22 {0 0 0} 0
3 3 0 {1 0 0} 0
0 13 30 {0 0 -1} 0
3 0 7 {0 0 -1} 0
1 2 19 {0 1 0} 0
2 14 3 {-1 0 0} 0
2 6 15 {1 1 0} 0
0 14 20 {0 0 0} 0
0 21 14 {0 0 0} 0
3 3 6 {0 0 0} 0
3 2 7 {0 1 0} 0
2 12 1 {0 0 0} 0
1 5 16 {0 1 0} 0
1 39 4 {0 0 -1} 0
4 39 11 {0 0 0} 0
1 24 4 {-1 0 0} 0
1 30 1 {0 -1 0} 0
3 0 5 {0 -1 0} 0
3 2 1 {0 0 0} 0
1 0 39 {0 0 0} 0
1 7 39 {0 0 1} 0
0 34 14 {1 0 0} 0
3 5 2 {0 0 -1} 0
1 6 34 {0 0 0} 0
2 1 13 {0 1 1} 0
3 6 1 {0 0 0} 0
1 22 5 {0 0 0} 0
1 4 23 {0 0 0} 0
2 12 0 {0 0 0} 0
1 3 17 {0 0 0} 0
1 18 5 {0 -1 0} 0
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2 5 15 {0 1 0} 0
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2 2 12 {0 0 0} 0
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1 16 0 {0 0 0} 0
1 6 26 {1 0 0} 0
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1 7 20 {0 0 1} 0
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0 36 12 {0 0 0} 0
1 6 33 {0 0 0} 0
1 35 5 {0 0 0} 0
1 28 6 {0 -1 0} 0
1 25 0 {0 0 0} 0
1 21 6 {-1 0 0} 0
3 3 4 {0 0 0} 0
2 13 6 {0 -1 0} 0
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4 18 8 {0 0 0} 0
1 18 3 {-1 0 0} 0
1 29 0 {0 0 0} 0
3 7 4 {0 0 0} 0
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1 16 2 {0 -1 -1} 0
4 11 38 {0 0 0} 0
1 6 25 {1 0 0} 0
2 13 3 {0 0 0} 0
1 21 1 {-1 0 -1} 0
1 7 37 {0 0 0} 0
1 0 18 {0 0 0} 0
4 11 37 {0 0 -1} 0
4 36 11 {0 0 0} 0
2 4 14 {1 0 1} 0
0 14 35 {0 0 0} 0
1 3 27 {1 0 0} 0
1 34 1 {0 0 -1} 0
2 13 4 {0 0 -1} 0
1 26 1 {-1 0 0} 0
3 0 7 {0 0 0} 0
0 14 24 {0 0 -1} 0
2 5 13 {0 1 0} 0
0 17 13 {0 0 0} 0
1 1 23 {0 0 0} 0
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1 31 5 {0 -1 0} 0
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1 0 36 {0 0 0} 0
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1 32 7 {0 0 0} 0
1 1 28 {0 1 0} 0
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1 22 2 {0 0 0} 0
1 39 3 {0 0 0} 0
1 6 17 {0 1 0} 0
0 12 23 {0 0 0} 0
0 33 12 {0 0 0} 0
4 8 21 {0 -1 0} 0
3 7 2 {0 0 0} 0
1 26 2 {0 0 0} 0
3 6 3 {0 1 0} 0
1 23 6 {0 0 0} 0
4 10 31 {0 0 0} 0
2 15 3 {-1 0 0} 0
1 7 16 {0 0 1} 0
0 15 19 {0 0 0} 0
1 0 35 {0 0 0} 0
1 7 35 {0 0 1} 0
2 14 5 {0 0 0} 0
1 18 6 {-1 -1 0} 0
1 3 25 {1 0 0} 0
3 4 1 {0 -1 0} 0
3 0 5 {0 0 0} 0
1 4 37 {0 0 0} 0
1 36 6 {0 0 0} 0
0 12 22 {0 0 0} 0
2 1 14 {1 0 1} 0
1 3 32 {0 0 0} 0
4 9 26 {0 0 0} 0
1 5 29 {0 1 0} 0
1 38 1 {0 0 -1} 0
1 17 4 {0 0 -1} 0
4 11 35 {0 0 0} 0
2 15 1 {-1 -1 0} 0
2 13 0 {0 0 0} 0
4 10 30 {0 0 0} 0
4 10 29 {0 0 0} 0
2 7 15 {0 0 0} 0
1 1 19 {1 1 0} 0
2 0 15 {0 0 0} 0
4 24 9 {0 0 0} 0
0 15 18 {0 0 0} 0
2 2 13 {0 1 1} 0
1 20 4 {-1 0 -1} 0
3 3 0 {0 0 0} 0
3 1 2 {1 0 0} 0
1 36 5 {0 0 0} 0
2 3 12 {0 0 0} 0
4 9 25 {0 0 0} 0
4 11 34 {0 0 0} 0
4 20 8 {0 0 0} 0
4 19 8 {0 0 1} 0
1 31 0 {0 0 0} 0
0 37 12 {0 0 0} 0
2 7 14 {0 0 1} 0
2 0 14 {0 0 0} 0
1 32 4 {0 0 0} 0
2 14 6 {-1 0 0} 0
1 20 3 {-1 0 0} 0
3 3 4 {0 0 -1} 0
1 23 3 {0 0 0} 0
1 2 24 {0 0 0} 0
1 1 37 {0 0 0} 0
2 7 13 {0 0 1} 0
3 6 5 {1 0 0} 0
1 24 7 {0 0 0} 0
1 17 1 {0 -1 -1} 0
1 0 32 {0 0 0} 0
1 2 30 {0 1 0} 0
1 2 29 {0 1 0} 0
1 4 27 {1 0 0} 0
1 5 21 {0 0 0} 0
1 4 34 {0 0 1} 0
1 3 28 {0 0 0} 0
3 1 6 {0 0 1} 0
4 17 8 {1 0 0} 0
2 7 12 {0 0 0} 0
3 5 6 {0 0 0} 0
1 5 38 {0 0 0} 0
1 6 31 {0 1 0} 0
4 9 22 {0 0 0} 0
3 4 1 {0 0 0} 0
4 8 16 {0 0 0} 0
0 28 15 {1 0 0} 0
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	::chemistry::PeriodicTable {
		scalar ::chemistry::PeriodicTable::gProperties {symbol {atomic radius} {covalent radius} {atomic number} {atomic mass} {discovery date} {electrical conductivity} {thermal conductivity} {specific heat} electronegativity {boiling point} {melting point} density {atomic volume} {lattice spacing a} structure {c/a, alpha, b/a} {coherent scattering length} {incoherent X-section} {absorption @1.8A} name state valency {ldf spin-polarization energy} {atomic heat of formation at 0 K} {Pettifor index} {alternate radius}}
		scalar ::chemistry::PeriodicTable::gSymbols {X
	    H                                                                                            He
	    Li Be                                                                         B  C  N  O  F  Ne
	    Na Mg                                                                         Al Si P  S  Cl Ar
	    K  Ca Sc Ti                                           V  Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr
	    Rb Sr Y  Zr                                           Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I  Xe
	    Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W  Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn
	    Fr Ra Ac Th Pa U  Np Pu Am Cm Bk Cf Es Fm Md No Lr Rf Db Sg Bh Hs Mt Ds Rg Cn Nh Fl Mc Lv Ts Og
	}
		scalar ::chemistry::PeriodicTable::gType {{} continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous discrete {} continuous continuous continuous {} discrete discrete continuous continuous discrete continuous}
		scalar ::chemistry::PeriodicTable::gUnits {{} Ang Ang {} amu {} {10^6 / (cm * ohm)} {W /(cm * K)} {[J/g/K]} {} K\] K {} {} Ang {} {} {1.0E-12 cm} barn barn {} {} {} kJ/mol kJ/mol {} Ang}
		scalar ::chemistry::PeriodicTable::gNElements 118
		scalar ::chemistry::PeriodicTable::gElementData {{X --- --- 0 0.0 ---- --- ---- --- --- --- --- --- --- --- --- --- --- --- --- Dummy --- --- --- --- 999 1.10} {H 0.79 0.32 1 1.00794 1766 --- 0.001815 14.304 2.20 20.268 14.025 0.0899 14.4 3.75 HEX --- -0.374 79.9 0.3326 Hydrogen gas 1 86.64 216.035 103 0.20} {He 0.49 0.93 2 4.002602 1895 --- 0.00152 5.193 --- 4.215 0.95 0.1787 0.0 3.57 HEX --- 0.326 0.0 0.00747 Helium gas 0 0.00 0 1 1.00} {Li 2.05 1.23 3 6.941 1817 0.108 0.847 3.6 0.98 1615 453.7 0.53 13.10 3.49 BCC --- -0.190 0.91 70.5 Lithium solid 1 23.00 157.735 12 0.90} {Be 1.40 0.90 4 9.012182 1798 0.313 2.00 1.82 1.57 2745 1560.0 1.85 5.0 2.29 HEX 1.567 0.779 0.005 0.0076 Beryllium solid 2 0.00 319.753 77 0.80} {B 1.17 0.82 5 10.811 1828 1.0e-12 0.270 1.02 2.04 4275 2300.0 2.34 4.6 8.73 TET 0.576 0.530 1.7 767.0 Boron solid 3 24.72 559.906 86 0.65} {C 0.91 0.77 6 12.011 ???? 0.00061 1.29 0.71 2.55 4470.0 4100.0 2.62 4.58 3.57 DIA --- 0.6648 0.001 0.0035 Carbon solid 4 116.26 711.194 95 0.70} {N 0.75 0.75 7 14.00674 1772 --- 0.0002598 1.04 3.04 77.35 63.14 1.251 17.3 4.039 HEX 1.051 0.936 0.49 1.90 Nitrogen gas 3 293.49 470.818 100 0.80} {O 0.65 0.73 8 15.9994 1774 --- 0.0002674 0.92 3.44 90.18 50.35 1.429 14.0 6.83 CUB --- 0.5805 0.000 0.00019 Oxygen gas 2 142.65 246.795 101 0.90} {F 0.57 0.72 9 18.9984032 1886 --- 0.000279 0.82 3.98 84.95 53.48 1.696 17.1 --- MCL --- 0.5654 0.0008 0.0096 Fluorine gas 1 38.19 77.2745 102 0.95} {Ne 0.51 0.71 10 20.1797 1898 --- 0.000493 0.904 --- 27.096 24.553 0.901 16.7 4.43 FCC --- 0.4547 0.008 0.039 Neon gas 0 0.00 0 2 1.40} {Na 2.23 1.54 11 22.989768 1807 0.139 1.41 1.23 0.93 1156 371.0 0.97 23.7 4.23 BCC --- 0.363 1.62 0.530 Sodium solid 1 19.86 107.763 11 1.10} {Mg 1.72 1.36 12 24.3050 1808 0.226 1.56 1.02 1.31 1363 922 1.74 13.97 3.21 HEX 1.624 0.5375 0.077 0.063 Magnesium solid 2 0.00 145.901 73 0.95} {Al 1.82 1.18 13 26.981539 1825 0.377 2.37 0.90 1.61 2793 933.25 2.70 10.0 4.05 FCC --- 0.3449 0.0085 0.231 Aluminum solid 3 14.66 327.621 80 0.85} {Si 1.46 1.11 14 28.0855 1823 2.52e-12 1.48 0.71 1.90 3540.0 1685 2.33 12.1 5.43 DIA --- 0.4149 0.015 0.171 Silicon solid 4 64.45 445.667 85 0.80} {P 1.23 1.06 15 30.97362 1669 1.0e-17 0.00235 0.77 2.19 550.0 317.30 1.82 17.0 7.17 CUB --- 0.513 0.006 0.172 Phosphorus solid 3 156.41 315.663 90 0.90} {S 1.09 1.02 16 32.066 ???? 0.5e-23 0.00269 0.71 2.58 717.75 388.36 2.07 15.5 10.47 ORC 2.339/1.229 0.2847 0.007 0.53 Sulfur solid 2 73.16 274.925 94 1.25} {Cl 0.97 0.99 17 35.4527 1774 --- 0.000089 0.48 3.16 239.1 172.16 3.17 22.7 6.24 ORC 1.324/0.718 0.95792 5.2 33.5 Chlorine gas 1 19.12 119.6195 99 1.35} {Ar 0.88 0.98 18 39.948 1894 --- 0.0001772 0.520 --- 87.30 83.81 1.784 28.5 5.26 FCC --- 0.1909 0.22 0.675 Argon gas 0 0.00 0 3 1.70} {K 2.77 2.03 19 39.0983 1807 0.139 1 0.75 0.82 1032 336.35 0.86 45.46 5.23 BCC --- 0.371 0.25 2.1 Potassium solid 1 14.29 89.891 10 1.50} {Ca 2.23 1.91 20 40.078 1808 0.298 2.00 0.63 1.00 1757 1112 1.55 29.9 5.58 FCC --- 0.490 0.03 0.43 Calcium solid 2 0.00 177.339 16 1.30} {Sc 2.09 1.62 21 44.955910 1879 0.0177 0.158 0.6 1 3104 1812 3.0 15.0 3.31 HEX 1.594 1.229 4.5 27.2 Scandium solid 3 15.68 376.22 19 1.05} {Ti 2.00 1.45 22 47.88 1791 0.0234 0.219 0.52 1.54 3562 1943 4.50 10.64 2.95 HEX 1.588 -0.330 2.67 6.09 Titanium solid 4 68.91 470.285 51 1.00} {V 1.92 1.34 23 50.9415 1830 0.0489 0.307 0.49 1.63 3682 2175 5.8 8.78 3.02 BCC --- -0.0382 5.187 5.08 Vanadium solid 5 166.19 514.84 54 0.98} {Cr 1.85 1.18 24 51.9961 1797 0.0774 0.937 0.45 1.66 2945 2130.0 7.19 7.23 2.88 BCC --- 0.3635 1.83 3.07 Chromium solid 3 493.88 394.86 57 0.97} {Mn 1.79 1.17 25 54.93085 1774 0.00695 0.0782 0.48 1.55 2335 1517 7.43 1.39 8.89 FCC --- -0.373 0.40 13.3 Manganese solid 2 511.24 279.8 60 0.96} {Fe 1.72 1.17 26 55.847 ???? 0.0993 0.802 0.44 1.83 3135 1809 7.86 7.1 2.87 BCC --- 0.954 0.39 2.56 Iron solid 2 341.93 411.405 61 0.95} {Co 1.67 1.16 27 58.93320 1737 0.172 1.00 0.42 1.88 3201 1768 8.90 6.7 2.51 HEX 1.622 0.250 4.8 37.18 Cobalt solid 2 199.63 423.41 64 0.94} {Ni 1.62 1.15 28 58.69 1751 0.143 0.907 0.44 1.91 3187 1726 8.90 6.59 3.52 FCC --- 1.03 5.2 4.49 Nickel solid 2 91.65 427.97 67 0.93} {Cu 1.57 1.17 29 63.546 ???? 0.596 4.01 0.38 1.90 2836 1357.6 8.96 7.1 3.61 FCC --- 0.7718 0.52 3.78 Copper solid 2 19.68 336.207 72 0.95} {Zn 1.53 1.25 30 65.39 1746 0.166 1.16 0.39 1.65 1180.0 692.73 7.14 9.2 2.66 HEX 1.856 0.5680 0.077 1.11 Zinc solid 2 0.00 129.86 76 1.00} {Ga 1.81 1.26 31 69.723 1875 0.0678 0.406 0.37 1.81 2478 302.90 5.91 11.8 4.51 ORC 1.695/1.001 0.7288 0.0 2.9 Gallium solid 3 14.36 276.02 81 0.90} {Ge 1.52 1.22 32 72.61 1886 1 0.599 0.32 2.01 3107 1210.4 5.32 13.6 5.66 DIA --- 0.81929 0.17 2.3 Germanium solid 4 59.15 369.238 84 0.85} {As 1.33 1.20 33 74.92159 ???? 0.0345 0.500 0.33 2.18 876 1081 5.72 13.1 4.13 RHL 54\"10' 0.658 0.060 4.5 Arsenic solid 3 136.99 301.93 89 1.00} {Se 1.22 1.16 34 78.96 1817 1.0e-12 0.0204 0.32 2.55 958 494 4.80 16.45 4.36 HEX 1.136 0.797 0.33 11.7 Selenium solid 2 61.67 226.421 93 1.30} {Br 1.12 1.14 35 79.904 1826 --- 0.00122 0.473 2.96 332.25 265.90 3.12 23.5 6.67 ORC 1.307/0.672 0.679 0.10 6.9 Bromine liquid 1 15.62 117.933 98 1.40} {Kr 1.03 1.12 36 83.80 1898 --- 0.0000949 0.248 --- 119.80 115.78 3.74 38.9 5.72 FCC --- 0.780 0.03 25. Krypton gas 0 0.00 0 4 1.90} {Rb 2.98 2.16 37 85.4678 1861 0.0779 0.582 0.363 0.82 961 312.64 1.53 55.9 5.59 BCC --- 0.708 0.3 0.38 Rubidium solid 1 12.78 82.192 9 1.80} {Sr 2.45 1.91 38 87.62 1790 0.0762 0.353 0.30 0.95 1650.0 1041 2.6 33.7 6.08 FCC --- 0.702 0.04 1.28 Strontium solid 2 0.00 164 15 1.60} {Y 2.27 1.62 39 88.90585 1794 0.0166 0.172 0.30 1.22 3611 1799 4.5 19.8 3.65 HEX 1.571 0.775 0.15 1.28 Yttrium solid 3 11.91 420.11 25 1.30} {Zr 2.16 1.45 40 91.224 1789 0.0236 0.227 0.27 1.33 4682 2125 6.49 14.1 3.23 HEX 1.593 0.716 0.16 0.185 Zirconium solid 4 51.13 607.71 49 1.15} {Nb 2.09 1.34 41 92.90638 1801 0.0693 0.537 0.26 1.6 5017 2740.0 8.55 10.87 3.30 BCC --- 0.7054 0.0024 1.15 Niobium solid 5 261.09 722.89 53 1.12} {Mo 2.01 1.30 42 95.94 1778 0.187 1.38 0.25 2.16 4912 2890.0 10.2 9.4 3.15 BCC --- 0.695 0.28 2.55 Molybdenum solid 6 392.14 656.393 56 1.11} {Tc 1.95 1.27 43 98.91 1937 0.067 0.506 0.21 1.9 4538 2473 11.5 8.5 2.74 HEX 1.604 0.68 0.0 20.0 Technetium solid ? 359.05 678 59 1.10} {Ru 1.89 1.25 44 101.07 1844 0.137 1.17 0.238 2.2 4423 2523 12.2 8.3 2.70 HEX 1.584 0.721 0.07 2.56 Ruthenium solid 3 166.40 641.37 62 1.09} {Rh 1.83 1.25 45 102.90550 1803 0.211 1.50 0.242 2.28 3970.0 2236 12.4 8.3 3.90 FCC --- 0.588 0.0 145.0 Rhodium solid 3 88.99 555.71 65 1.08} {Pd 1.79 1.28 46 106.42 1803 0.0950 0.718 0.24 2.20 3237 1825 12.0 8.9 3.89 FCC --- 0.591 0.093 6.9 Palladium solid 2 0.00 377.24 69 1.07} {Ag 1.75 1.34 47 107.8682 ???? 0.630 4.29 0.235 1.93 2436 1234 10.5 10.3 4.09 FCC --- 0.5922 0.58 63.3 Silver solid 1 16.11 284.45 71 1.10} {Cd 1.71 1.48 48 112.411 1817 0.138 0.968 0.23 1.69 1040.0 594.18 8.65 13.1 2.98 HEX 1.886 0.51 2.4 2520.0 Cadmium solid 2 0.00 111.85 75 1.20} {In 2.00 1.44 49 114.82 1863 0.116 0.816 0.23 1.78 2346 429.76 7.31 15.7 4.59 TET 1.076 0.4065 0.54 193.8 Indium solid 3 12.46 243.7 79 1.05} {Sn 1.72 1.41 50 118.710 ???? 0.0917 0.666 0.227 1.96 2876 505.06 7.30 16.3 5.82 TET 0.546 0.6228 0.022 0.626 Tin solid 4 49.86 301.308 83 1.00} {Sb 1.53 1.40 51 121.75 ???? 0.0288 0.243 0.21 2.05 1860.0 904 6.68 18.23 4.51 RHL 58\"6' 0.5641 0.3 5.1 Antimony solid 3 113.05 262.7 88 1.30} {Te 1.42 1.36 52 127.60 1782 2.0e-6 0.0235 0.20 2.1 1261 722.65 6.24 20.5 4.45 HEX 1.33 0.543 0.02 4.7 Tellurium solid 2 50.05 196.62 92 1.70} {I 1.32 1.33 53 126.90447 1804 8.0e-16 0.00449 0.214 2.66 458.4 386.7 4.92 25.74 7.27 ORC 1.347/0.659 0.528 0.0 6.2 Iodine solid 1 12.51 113.759 97 1.80} {Xe 1.24 1.31 54 131.29 1898 --- 0.0000569 0.158 --- 165.03 161.36 5.89 37.3 6.20 FCC --- 0.485 0.0 23.9 Xenon gas 0 0.00 0 5 2.10} {Cs 3.34 2.35 55 132.90543 1860 0.0489 0.359 0.24 0.79 944 301.55 1.87 71.07 6.05 BCC --- 0.542 0.21 29.0 Cesium solid 1 10.91 78.014 8 1.80} {Ba 2.78 1.98 56 137.327 1808 0.030 0.184 0.204 0.89 2171 1002 3.5 39.24 5.02 BCC --- 0.525 0.01 1.2 Barium solid 2 0.00 181.7 14 1.60} {La 2.74 1.69 57 138.9055 1839 0.0126 0.135 0.19 1.10 3730.0 1193 6.7 20.73 3.75 HEX 1.619 0.824 1.13 8.97 Lanthanum solid 3 10.68 431.36 33 1.30} {Ce 2.70 1.65 58 140.115 1803 0.0115 0.114 0.19 1.12 3699 1071 6.78 20.67 5.16 FCC --- 0.484 0.0 0.63 Cerium solid 3 33.37 424.33 32 1.20} {Pr 2.67 1.65 59 140.90765 1885 0.0148 0.125 0.19 1.13 3785 1204 6.77 20.8 3.67 HEX 1.614 0.445 0.016 11.5 Praseodymium solid 3 134.97 357.08 31 1.19} {Nd 2.64 1.64 60 144.24 1925 0.0157 0.165 0.19 1.14 3341 1289 7.00 20.6 3.66 HEX 1.614 0.769 11. 50.5 Neodymium solid 3 248.46 328.93 30 1.18} {Pm 2.62 1.63 61 146.9151 1945 --- 0.179 0.18 1.13 3785 1204 6.475 22.39 --- --- --- 1.26 1.3 168.4 Promethium solid 3 399.56 --- 29 1.17} {Sm 2.59 1.62 62 150.36 1879 0.00956 0.133 0.20 1.17 2064 1345 7.54 19.95 9.00 RHL 23\"13' 0.42 50. 5670. Samarium solid 3 589.70 206.43 28 1.16} {Eu 2.56 1.85 63 151.965 1901 0.0112 0.139 0.18 1.2 1870.0 1090.0 5.26 28.9 4.61 BCC --- 0.668 2.2 4600. Europium solid 3 820.13 176.8 18 1.15} {Gd 2.54 1.61 64 157.25 1880 0.00736 0.106 0.23 1.20 3539 1585 7.89 19.9 3.64 HEX 1.588 0.95 158.0 48890. Gadolinium solid 3 949.67 398.47 27 1.14} {Tb 2.51 1.59 65 158.92534 1843 0.00889 0.111 0.18 1.2 3496 1630.0 8.27 19.2 3.60 HEX 1.581 0.738 0.004 23.4 Terbium solid 3 436.00 390.91 26 1.13} {Dy 2.49 1.59 66 162.50 1886 0.0108 0.107 0.17 1.22 2835 1682 8.54 19.0 3.59 HEX 1.573 1.69 54.5 940. Dysprosium solid 3 283.86 291.8 24 1.12} {Ho 2.47 1.58 67 164.93032 1878 0.0124 0.162 0.16 1.23 2968 1743 8.80 18.7 3.58 HEX 1.570 0.808 0.36 64.7 Holmium solid 3 162.17 302.8 23 1.11} {Er 2.45 1.57 68 167.26 1843 0.0117 0.143 0.17 1.24 3136 1795 9.05 18.4 3.56 HEX 1.570 0.803 1.2 159.2 Erbium solid 3 73.11 318.18 22 1.10} {Tm 2.42 1.56 69 168.93421 1879 0.0150 0.168 0.16 1.25 2220.0 1818 9.33 18.1 3.54 HEX 1.570 0.705 0.41 105. Thulium solid 3 18.52 233.19 21 1.09} {Yb 2.40 1.74 70 173.04 1878 0.0351 0.349 0.15 1.1 1467 1097 6.98 24.79 5.49 FCC --- 1.24 3.0 35.1 Ytterbium solid 3 0.00 152.51 17 1.08} {Lu 2.25 1.56 71 174.967 1907 0.0185 0.164 0.15 1.27 3668 1936 9.84 17.78 3.51 HEX 1.585 0.73 0.1 76.4 Lutetium solid 3 11.53 428.18 20 1.07} {Hf 2.16 1.44 72 178.49 1923 0.0312 0.230 0.14 1.3 4876 2500.0 13.1 13.6 3.20 HEX 1.582 0.777 2.6 104.1 Hafnium solid 4 48.55 618.65 50 1.15} {Ta 2.09 1.34 73 180.9479 1802 0.0761 0.575 0.14 1.5 5731 3287 16.6 10.90 3.31 BCC --- 0.691 0.02 20.6 Tantalum solid 5 112.72 781.44 52 1.12} {W 2.02 1.30 74 183.85 1783 0.189 1.74 0.13 2.36 5828 3680.0 19.3 9.53 3.16 BCC --- 0.477 2.00 18.4 Tungsten solid 6 204.93 847.76 55 1.11} {Re 1.97 1.28 75 186.207 1925 0.0542 0.479 0.13 1.9 5869 3453 21.0 8.85 2.76 HEX 1.615 0.92 0.9 90.7 Rhenium solid 5 325.85 769.22 58 1.10} {Os 1.92 1.26 76 190.2 1804 0.109 0.876 0.13 2.2 5285 3300.0 22.4 8.49 2.74 HEX 1.579 1.10 0.4 16.0 Osmium solid 4 210.26 791 63 1.09} {Ir 1.87 1.27 77 192.22 1804 0.197 1.47 0.130 2.20 4701 2716 22.5 8.54 3.84 FCC --- 1.06 0.2 425.3 Iridium solid 4 119.17 664.07 66 1.08} {Pt 1.83 1.30 78 195.08 1735 0.0966 0.716 0.13 2.28 4100.0 2045 21.4 9.10 3.92 FCC --- 0.963 0.13 10.3 Platinum solid 4 36.06 564.16 68 1.07} {Au 1.79 1.34 79 196.96654 ???? 0.452 3.17 0.128 2.54 3130.0 1337.58 19.3 10.2 4.08 FCC --- 0.763 0.36 98.65 Gold solid 3 14.78 365.81 70 1.10} {Hg 1.76 1.49 80 200.59 ???? 0.0104 0.0834 0.139 2.00 630.0 234.28 13.53 14.82 2.99 RHL 70\"45' 1.266 6.7 372.3 Mercury liquid 2 0.00 64.525 74 1.20} {Tl 2.08 1.48 81 204.3833 1861 0.0617 0.461 0.13 2.04 1746 577 11.85 17.2 3.46 HEX 1.599 0.8785 0.14 3.43 Thallium solid 3 11.75 182.83 78 1.20} {Pb 1.81 1.47 82 207.2 ???? 0.0481 0.353 0.13 2.33 2023 600.6 11.4 18.17 4.95 FCC --- 0.94003 0.003 0.171 Lead solid 4 46.28 195.873 82 1.10} {Bi 1.63 1.46 83 208.98037 ???? 0.00867 0.0787 0.12 2.02 1837 544.52 9.8 21.3 4.75 RHL 58\"14' 0.85256 0.0072 0.0338 Bismuth solid 3 103.69 207.23 87 1.30} {Po 1.53 1.46 84 209.98 1898 0.0219 0.20 0.12 2.0 1235 527 9.4 22.23 3.35 SC --- --- --- --- Polonium solid 2 45.46 --- 91 1.90} {At 1.43 1.45 85 209.9871 1940 --- 0.017 --- 2.2 610.0 575 --- --- --- --- --- --- --- --- Astatine solid 1 11.27 --- 96 2.00} {Rn 1.34 1.43 86 (222) 1898 --- 0.0000364 0.09 --- 211 202 9.91 50.5 --- --- --- --- --- --- Radon gas 0 0.00 0 6 2.20} {Fr 3.50 2.50 87 223.0197 1939 0.03 0.15 --- 0.7 950.0 300.0 --- --- --- --- --- 0.8495 0.0072 0.036 Francium solid 1 10.15 --- 7 2.00} {Ra 3.00 2.40 88 226.025 1898 --- 0.186 0.12 0.9 1809 973 5 45.20 --- --- --- 1.0 0.0 12.8 Radium solid 2 0.00 159 13 1.50} {Ac 3.20 2.20 89 227.028 1899 --- 0.12 --- 1.1 3473 1323 10.07 22.54 5.31 FCC --- --- --- --- Actinium solid 3 9.74 406 48 1.30} {Th 3.16 1.65 90 232.0381 1828 0.0653 0.540 0.12 1.3 5061 2028 11.7 19.9 5.08 FCC --- 0.984 0.0 7.37 Thorium solid 3 39.72 602 47 1.20} {Pa 3.14 1.535 91 231.03588 1917 0.0529 0.47 0.12 1.5 --- --- 15.4 15.0 3.92 TET 0.825 0.91 0.0 200.6 Protactinium solid 3 75.76 607 46 1.10} {U 3.11 1.42 92 238.0289 1789 0.0380 0.276 0.12 1.38 4407 1405 18.90 12.59 2.85 ORC 2.056/1.736 0.8417 0.004 7.57 Uranium solid 3 148.67 533 45 1.10} {Np 3.08 1.42 93 237.048 1940 0.00822 0.063 0.12 1.36 --- 910.0 20.4 11.62 4.72 ORC 1.411/1.035 1.055 0.0 175.9 Neptunium solid 3 {} --- 44 1.10} {Pu 3.05 1.42 94 244.0642 1940 0.00666 0.0674 0.13 1.28 3503 913 19.8 12.32 --- MCL --- 1.41 0.0 558. Plutonium solid 3 {} --- 43 1.10} {Am 3.02 --- 95 243.061375 1945 0.022 0.1 0.11 1.3 2880.0 1268 13.6 17.86 --- --- --- 0.83 0.0 75.3 Americium solid 3 {} --- 42 1.10} {Cm 2.99 --- 96 247.0703 1944 --- 0.1 --- 1.3 --- 1340.0 13.511 18.28 --- --- --- 0.7 0.0 0.0 Curium solid 3 {} --- 41 1.10} {Bk 2.97 --- 97 (247) 1949 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Berkelium solid 3 {} --- 40 1.10} {Cf 2.95 --- 98 (251) 1950 --- 0.1 --- 1.3 --- 900.0 --- --- --- --- --- --- --- --- Californium solid 3 {} --- 39 1.10} {Es 2.92 --- 99 (252) 1952 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Einsteinium solid 3 {} --- 38 1.10} {Fm 2.90 --- 100 257.0951 1953 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Fermium solid 3 {} --- 37 1.10} {Md 2.87 --- 101 (258) 1955 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Mendelevium solid 3 {} --- 36 1.10} {No 2.85 --- 102 (259) 1957 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Nobelium solid 3 {} --- 35 1.10} {Lr 2.82 --- 103 (266) 1961 --- 0.1 --- --- --- --- --- --- --- --- --- --- --- --- Lawrencium solid 3 {} --- 34 1.10} {Rf --- --- 104 261.1087 1964 --- 0.23 --- --- --- --- --- --- --- --- --- --- --- --- Rutherfordium solid ? {} --- 104 1.10} {Db --- --- 105 262.1138 1970 --- 0.58 --- --- --- --- --- --- --- --- --- --- --- --- Dubnium solid ? {} --- 105 1.10} {Sg --- --- 106 263.1182 1974 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Seaborgium solid ? {} --- 106 1.10} {Bh --- --- 107 262.1229 1976 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Bohrium solid ? {} --- 107 1.10} {Hs --- --- 108 (270) 1984 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Hassium solid ? {} --- 108 1.10} {Mt --- --- 109 (268) 1982 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Meitnerium solid ? {} --- 109 1.10} {Ds --- --- 110 (281) 1994 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Darmstadtium solid ? {} --- {} 1.10} {Rg --- --- 111 (280) 1994 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Roentgenium solid ? {} {} {} {}} {Cn --- --- 112 (277) 1996 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Copernicium solid ? {} {} {} {}} {Nh --- --- 113 (287) 2003 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Nihonium solid ? {} {} {} {}} {Fl --- --- 114 (289) 1999 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Flerovium solid ? {} {} {} {}} {Mc --- --- 115 (289) 2004 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Moscovium solid ? {} {} {} {}} {Lv --- --- 116 (293) 2000 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Livermorium solid ? {} {} {} {}} {Ts --- --- 117 (294) 2010 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Tennessine solid ? {} {} {} {}} {Og --- --- 118 (294) 2006 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Oganesson solid ? {} {} {} {}}}
	}
}
}
job.status running
job.started {2024-09-13 11:29:57}
job.pid 73494
job.status finished
job.finished {2024-09-13 11:31:35}