{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Li" "Li" ] } "a" { "source-value" [ 5.17837 4.831401 4.616363 4.460127 4.337344 4.236185 4.150161 4.075328 4.009106 3.949717 3.895881 3.846648 3.801292 3.759248 3.720064 3.683376 3.648885 3.616343 3.58554 3.556301 3.528475 3.50193 3.476555 3.45225 3.435704 3.41829 3.399911 3.380456 3.359789 3.33775 3.314144 3.28873 3.261208 3.231197 3.198202 3.161563 3.120373 3.07334 3.018527 2.952842 2.870875 2.7618 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.17837e-10 4.831401e-10 4.616363e-10 4.4601270000000003e-10 4.337344e-10 4.236185e-10 4.150161e-10 4.075328e-10 4.009106e-10 3.949717e-10 3.895881e-10 3.846648e-10 3.801292e-10 3.759248e-10 3.720064e-10 3.683376e-10 3.648885e-10 3.616343e-10 3.58554e-10 3.556301e-10 3.528475e-10 3.5019300000000003e-10 3.476555e-10 3.45225e-10 3.435704e-10 3.41829e-10 3.399911e-10 3.3804560000000003e-10 3.359789e-10 3.33775e-10 3.3141440000000005e-10 3.2887300000000005e-10 3.261208e-10 3.2311969999999997e-10 3.1982020000000005e-10 3.1615630000000003e-10 3.120373e-10 3.07334e-10 3.0185270000000003e-10 2.952842e-10 2.870875e-10 2.7618e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.896897 0.990947 1.29206 1.35183 1.39936 1.43842 1.47118 1.49902 1.5229 1.54349 1.5613 1.57672 1.59004 1.60153 1.61138 1.61976 1.62681 1.63266 1.63739 1.64112 1.64391 1.64583 1.64694 1.6473 1.64713 1.64656 1.64552 1.64409 1.64235 1.63968 1.63569 1.63011 1.62262 1.61276 1.59974 1.58242 1.55903 1.52678 1.48094 1.41286 1.30478 1.11358 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4369874046656578e-19 1.5876721158518977e-19 2.0701083246708482e-19 2.1658704212960641e-19 2.242021876082688e-19 2.304602894891136e-19 2.357090200988544e-19 2.4016947981116163e-19 2.43995477581632e-19 2.472943592438592e-19 2.50147835805504e-19 2.5261839215477758e-19 2.547524914136832e-19 2.565933923509824e-19 2.581715363224704e-19 2.5951416033070083e-19 2.6064369484836484e-19 2.615809681715328e-19 2.623387977131712e-19 2.629364095927296e-19 2.633834168699328e-19 2.636910347811264e-19 2.6386887638603523e-19 2.63926554744384e-19 2.638993177418304e-19 2.638079936744448e-19 2.636413673058816e-19 2.634122560491072e-19 2.6313347731708803e-19 2.627056961593344e-19 2.6206642768763523e-19 2.611724131332288e-19 2.599723828442496e-19 2.583926366961408e-19 2.563066027358592e-19 2.5353163282863363e-19 2.497841417125824e-19 2.446171221105024e-19 2.372727444807552e-19 2.263651260463488e-19 2.0904880112874243e-19 1.7841518413904641e-19 ] } }