{ "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" [ "Zn" "Zn" ] } "a" { "source-value" [ 4.71796 4.40184 4.205921 4.063576 3.95171 3.859545 3.78117 3.71299 3.652656 3.598547 3.549497 3.504642 3.463319 3.425013 3.389313 3.355887 3.324462 3.294813 3.266749 3.24011 3.214757 3.190573 3.167454 3.14531 3.122923 3.099854 3.076059 3.05149 3.026097 2.999821 2.9726 2.944361 2.915028 2.884511 2.85271 2.819513 2.784792 2.7484 2.710168 2.6699 2.627366 2.582297 2.534372 2.483202 2.428318 2.369136 2.304928 2.234758 2.157405 2.071231 1.973959 1.862303 1.731259 1.57265 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.71796e-10 4.40184e-10 4.2059210000000004e-10 4.0635760000000004e-10 3.95171e-10 3.859545e-10 3.78117e-10 3.71299e-10 3.652656e-10 3.598547e-10 3.549497e-10 3.504642e-10 3.463319e-10 3.425013e-10 3.3893130000000004e-10 3.3558870000000003e-10 3.324462e-10 3.2948130000000004e-10 3.266749e-10 3.24011e-10 3.2147570000000004e-10 3.190573e-10 3.1674540000000005e-10 3.14531e-10 3.122923e-10 3.099854e-10 3.076059e-10 3.05149e-10 3.026097e-10 2.999821e-10 2.9726e-10 2.9443609999999997e-10 2.915028e-10 2.884511e-10 2.85271e-10 2.8195130000000005e-10 2.784792e-10 2.7484e-10 2.710168e-10 2.6699000000000003e-10 2.627366e-10 2.582297e-10 2.534372e-10 2.483202e-10 2.428318e-10 2.369136e-10 2.3049279999999998e-10 2.234758e-10 2.1574049999999997e-10 2.071231e-10 1.973959e-10 1.862303e-10 1.731259e-10 1.5726500000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.0360194 0.26604 0.416037 0.514621 0.592625 0.673073 0.766265 0.857794 0.936776 1.00232 1.05662 1.10186 1.13968 1.1712 1.19723 1.21837 1.23506 1.24766 1.25647 1.26173 1.26367 1.26247 1.2583 1.25086 1.23954 1.22369 1.20254 1.17518 1.14052 1.09727 1.04385 0.978413 0.898661 0.801819 0.684475 0.542409 0.370271 0.161205 -0.0934657 -0.403419 -0.782949 -1.25315 -1.84187 -2.58595 -3.53672 -4.77461 -6.43172 -8.69041 -11.855 -16.4698 -23.6037 -35.5395 -58.1293 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 5.770944105069959e-21 4.2624307170935996e-20 6.66564760279458e-20 8.245137415657139e-20 9.494899277242499e-20 1.078381833576282e-19 1.22769187845201e-19 1.374337503585396e-19 1.500880618491984e-19 1.6058936837908801e-19 1.6928918750170798e-19 1.7653743459392399e-19 1.82596866623712e-19 1.8764692737408e-19 1.91817393152382e-19 1.9520439455665798e-19 1.97878427358804e-19 1.9989716991764398e-19 2.0130868753219797e-19 2.02151432441682e-19 2.02462254708678e-19 2.02269993512598e-19 2.0160188585621998e-19 2.00409866440524e-19 1.98596202490836e-19 1.9605675252594597e-19 1.92668148945036e-19 1.8828459367441197e-19 1.8273144946096797e-19 1.7580203551891798e-19 1.6724320794008998e-19 1.567590447001842e-19 1.439813656087074e-19 1.284655666497246e-19 1.0966498515571498e-19 8.69035025871306e-20 5.93239544447814e-20 2.5827888428396996e-20 -1.4974856062045378e-20 -6.46348495511646e-20 -1.254422593413666e-19 -2.0077676488971e-19 -2.9510010768655796e-19 -4.1431486666922997e-19 -5.66645014500048e-19 -7.649768578462739e-19 -1.030475150043048e-18 -1.3923571841879939e-18 -1.899380399607e-18 -2.6387528726653198e-18 -3.7817296615945795e-18 -5.694055648404299e-18 -9.31334062107762e-18 ] } }