{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.78348 9.127951 8.72168 8.426502 8.194529 8.003409 7.840884 7.699502 7.574389 7.462184 7.360472 7.267456 7.181766 7.102332 7.028302 6.958987 6.893823 6.83234 6.774145 6.718904 6.666331 6.616181 6.568239 6.52232 6.475898 6.42806 6.378716 6.32777 6.275113 6.220626 6.164177 6.105621 6.044794 5.981511 5.915568 5.846729 5.774729 5.699265 5.619984 5.536482 5.448282 5.354824 5.255442 5.149334 5.035523 4.912801 4.779654 4.634146 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.78348e-10 9.127951e-10 8.72168e-10 8.426501999999999e-10 8.194529e-10 8.003409e-10 7.840884e-10 7.699502e-10 7.574389e-10 7.462184e-10 7.360472e-10 7.267456e-10 7.181765999999999e-10 7.102332e-10 7.028302e-10 6.958986999999999e-10 6.893823000000001e-10 6.832340000000001e-10 6.774145e-10 6.718904000000001e-10 6.666331e-10 6.616181000000001e-10 6.568239e-10 6.522319999999999e-10 6.475898e-10 6.42806e-10 6.378716e-10 6.32777e-10 6.275113e-10 6.220626e-10 6.164177e-10 6.105621000000001e-10 6.044794e-10 5.981511000000001e-10 5.915568000000001e-10 5.846729e-10 5.774729e-10 5.699264999999999e-10 5.619984e-10 5.536482000000001e-10 5.448282e-10 5.354824e-10 5.255442e-10 5.149333999999999e-10 5.035523000000001e-10 4.912801e-10 4.779654e-10 4.634146e-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" [ 1.10192 1.62113 2.08206 2.45566 2.76714 3.04008 3.28656 3.51107 3.71333 3.89257 4.04967 4.18669 4.3058 4.40921 4.49808 4.5739 4.63777 4.69066 4.73344 4.76693 4.79187 4.80892 4.81872 4.82215 4.8188 4.80811 4.789 4.76026 4.72053 4.66838 4.6023 4.52071 4.42106 4.29998 4.1533 3.9758 3.76161 3.50145 3.18414 2.79592 2.3198 1.7329 1.00494 0.0918341 -1.0717 -2.58104 -4.57708 -7.27713 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.76547047653728e-19 2.5973366066764196e-19 3.3358278825860393e-19 3.9344010730484395e-19 4.43344705100676e-19 4.87074514149072e-19 5.26564963823904e-19 5.62535431433838e-19 5.94941056033122e-19 6.236584700209379e-19 6.488286649410779e-19 6.707816891801459e-19 6.898652150677198e-19 7.06433323639914e-19 7.206718673862719e-19 7.3281957062526e-19 7.430526727866179e-19 7.51526585003844e-19 7.5838069664409595e-19 7.63746386191362e-19 7.67742214716558e-19 7.7047392587752785e-19 7.72044058978848e-19 7.725936055643099e-19 7.7205687639192e-19 7.703441495701739e-19 7.672823900225999e-19 7.626777343764839e-19 7.56312286609602e-19 7.479569354632919e-19 7.3736975226581985e-19 7.24297593109014e-19 7.083319029512039e-19 6.889327482667319e-19 6.6543202139922e-19 6.369933861457199e-19 6.02676364822074e-19 5.6099413751193e-19 5.10155470738476e-19 4.47955769453328e-19 3.7167293555531996e-19 2.7764118890586e-19 1.6100913865719597e-19 1.4713444922441938e-20 -1.7170526986578001e-19 -4.135281979419359e-19 -7.333290627948719e-19 -1.1659247648580418e-18 ] } }