{ "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" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" [ 9.87344 9.211882 8.801875 8.503983 8.269877 8.076999 7.91298 7.770298 7.644034 7.530798 7.42815 7.334279 7.247801 7.167636 7.092925 7.022973 6.95721 6.895161 6.836431 6.780682 6.727625 6.677014 6.628631 6.58229 6.535441 6.487163 6.437366 6.385951 6.33281 6.277822 6.220855 6.161761 6.100374 6.03651 5.96996 5.900488 5.827827 5.751668 5.671659 5.587389 5.498378 5.404061 5.303766 5.196682 5.081824 4.957974 4.823604 4.676758 4.514881 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.87344e-10 9.211881999999999e-10 8.801875000000001e-10 8.503983000000001e-10 8.269876999999999e-10 8.076999000000001e-10 7.91298e-10 7.770298000000001e-10 7.644034000000001e-10 7.530798e-10 7.42815e-10 7.334279000000001e-10 7.247801e-10 7.167636e-10 7.092925e-10 7.022973e-10 6.957210000000001e-10 6.895161e-10 6.836431000000001e-10 6.780682e-10 6.727625e-10 6.677014e-10 6.628631000000001e-10 6.582290000000001e-10 6.535441e-10 6.487163e-10 6.437366e-10 6.385951e-10 6.33281e-10 6.277822e-10 6.220855000000001e-10 6.161761e-10 6.100374000000001e-10 6.03651e-10 5.969960000000001e-10 5.900488000000001e-10 5.827827000000001e-10 5.751668e-10 5.671659000000001e-10 5.587389e-10 5.498378e-10 5.404061e-10 5.303766e-10 5.196682000000001e-10 5.081824e-10 4.957974e-10 4.823604e-10 4.676758000000001e-10 4.514881e-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" [ 1.0406 1.5598 2.01612 2.43434 2.82526 3.19146 3.53692 3.86165 4.16668 4.45262 4.7201 4.96966 5.2006 5.41284 5.607 5.78278 5.93915 6.07582 6.19241 6.28855 6.36384 6.41786 6.45113 6.46236 6.44969 6.40729 6.32735 6.2005 6.01359 5.75034 5.38971 4.9043 4.25805 3.40354 2.27625 0.789086 -1.17635 -3.78891 -7.28587 -12.0072 -18.4582 -27.3979 -40.0072 -58.1642 -84.9689 -125.752 -190.116 -296.415 -482.209 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6672250053403997e-19 2.4990751137132e-19 3.23018035534008e-19 3.90024266721156e-19 4.52656555697484e-19 5.11328264034564e-19 5.666770580327279e-19 6.1870453986861e-19 6.67575733735512e-19 7.133883724081079e-19 7.5624339301434e-19 7.96227313092444e-19 8.332279802780399e-19 8.67232577158056e-19 8.983404386838e-19 9.26503499556252e-19 9.5155673558211e-19 9.73453683638988e-19 9.921334610147939e-19 1.0075367871740698e-18 1.019599575051456e-18 1.028254533228324e-18 1.033584974889642e-18 1.035384219249624e-18 1.033354261454346e-18 1.0265610325261859e-18 1.01375323251399e-18 9.934296219117e-19 9.63483338445606e-19 9.21306038555556e-19 8.63526742603614e-19 7.8575548661262e-19 6.822148216403699e-19 5.45307226088436e-19 3.6469545631425e-19 1.264255151416524e-19 -1.8847204834059e-19 -6.07050307032894e-19 -1.1673250672361579e-18 -1.9237655279764798e-18 -2.95732967456988e-18 -4.389627520066859e-18 -6.409860103176479e-18 -9.31893221753028e-18 -1.361351861966826e-17 -2.0147691607876796e-17 -3.04599412949544e-17 -4.7490918696711e-17 -7.72583992504506e-17 ] } }