{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 9.74 9.087383 8.682918 8.389052 8.158109 7.967838 7.806036 7.665282 7.540724 7.429018 7.327758 7.235155 7.149846 7.070765 6.997064 6.928057 6.863183 6.801973 6.744036 6.689041 6.636701 6.586773 6.539045 6.49333 6.447114 6.399489 6.350365 6.299645 6.247222 6.192977 6.13678 6.078484 6.017927 5.954926 5.889275 5.820743 5.749063 5.673934 5.595006 5.511875 5.424067 5.331025 5.232085 5.126449 5.013143 4.890967 4.758412 4.613551 4.453862 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.740000000000002e-10 9.087383000000001e-10 8.682918000000001e-10 8.389052e-10 8.158109e-10 7.967838000000001e-10 7.806036e-10 7.665282000000001e-10 7.540724e-10 7.429018e-10 7.327758e-10 7.235155e-10 7.149846000000001e-10 7.070765e-10 6.997064e-10 6.928057e-10 6.863183e-10 6.801973000000001e-10 6.744036000000001e-10 6.689041e-10 6.636701000000001e-10 6.586773e-10 6.539045e-10 6.493330000000001e-10 6.447114000000001e-10 6.399489e-10 6.350365e-10 6.299645000000001e-10 6.247222e-10 6.192977e-10 6.13678e-10 6.078484e-10 6.017927000000001e-10 5.954926000000001e-10 5.889275e-10 5.820743000000001e-10 5.749063e-10 5.673934e-10 5.595006e-10 5.511875e-10 5.424067e-10 5.331025e-10 5.232085e-10 5.126449e-10 5.013143e-10 4.890967e-10 4.758412000000001e-10 4.6135510000000004e-10 4.4538620000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.42977 0.6442 0.832658 1.00538 1.16683 1.31808 1.46075 1.59486 1.72084 1.83894 1.94941 2.05247 2.14786 2.23551 2.3157 2.38829 2.45288 2.50932 2.55747 2.59718 2.62827 2.65058 2.66432 2.66896 2.66373 2.64622 2.6132 2.56081 2.48362 2.3749 2.22596 2.02548 1.75858 1.40567 0.940091 0.3259 -0.485839 -1.56482 -3.00907 -4.95898 -7.62324 -11.3154 -16.523 -24.0218 -35.0922 -51.9355 -78.5184 -122.42 -199.153 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.8856745199418e-20 1.0321221876228e-19 1.334065191713172e-19 1.6107963442909198e-19 1.86946776185022e-19 2.1117969777427198e-19 2.3403795181154996e-19 2.5552474265012397e-19 2.7570896388525596e-19 2.94630669932796e-19 3.12329915208594e-19 3.28841947598598e-19 3.44125110510324e-19 3.5816818870733397e-19 3.7101604313537997e-19 3.82646243321586e-19 3.9299470220059196e-19 4.02037387122888e-19 4.0975186761559794e-19 4.1611411102921196e-19 4.21095278184318e-19 4.24669734254772e-19 4.26871124949888e-19 4.2761453490806403e-19 4.26776596528482e-19 4.2397118524234795e-19 4.1868079799687995e-19 4.1028699461135398e-19 3.97919793173508e-19 3.805009288086599e-19 3.56638110021864e-19 3.24517672863432e-19 2.81755578501972e-19 2.25213162911478e-19 1.506191834033694e-19 5.221493650206e-20 -7.78399893685926e-20 -2.50711804041588e-19 -4.82106164407038e-19 -7.94516188447332e-19 -1.221377700337416e-18 -1.81292694843636e-18 -2.6472764523581998e-18 -3.8487166666621194e-18 -5.622390287565479e-18 -8.320984457510699e-18 -1.2580034581906559e-17 -1.9613846353427998e-17 -3.19078283191002e-17 ] } }