{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 7.85279 7.326623 7.000526 6.763599 6.577404 6.423999 6.293548 6.180066 6.079643 5.989581 5.90794 5.83328 5.764501 5.700742 5.641321 5.585685 5.53338 5.484031 5.43732 5.39298 5.350782 5.310528 5.272047 5.23519 5.210098 5.183691 5.155821 5.126317 5.094977 5.061556 5.025758 4.987218 4.945483 4.899973 4.849937 4.794374 4.731911 4.660587 4.577466 4.477857 4.353558 4.18815 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.85279e-10 7.326623e-10 7.000526e-10 6.763599e-10 6.577404e-10 6.423999e-10 6.293548000000001e-10 6.180066000000001e-10 6.079643e-10 5.989581000000001e-10 5.90794e-10 5.833280000000001e-10 5.764501e-10 5.700742e-10 5.641320999999999e-10 5.585685e-10 5.533380000000001e-10 5.484031e-10 5.43732e-10 5.39298e-10 5.350782e-10 5.310528e-10 5.272046999999999e-10 5.235190000000001e-10 5.210098000000001e-10 5.183691e-10 5.155821e-10 5.126317e-10 5.094977e-10 5.061556000000001e-10 5.025758e-10 4.987218000000001e-10 4.945483000000001e-10 4.899973e-10 4.849937e-10 4.794374e-10 4.731911e-10 4.660586999999999e-10 4.5774660000000005e-10 4.4778570000000004e-10 4.353558e-10 4.18815e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0106804 0.0169783 0.022644 0.0279129 0.0330423 0.0381139 0.0429291 0.0474969 0.0518202 0.0558983 0.0597283 0.0633059 0.066626 0.0697621 0.0726314 0.0752257 0.0775386 0.0795638 0.0812948 0.0827252 0.0838486 0.0846588 0.0851495 0.0853144 0.0852315 0.0849528 0.0844229 0.0836476 0.0824634 0.0807363 0.0782871 0.0748636 0.0701037 0.0634737 0.0541622 0.040889 0.0215423 -0.00752104 -0.0532286 -0.129941 -0.27169 -0.577088 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.711188718079232e-21 2.7202235320928645e-21 3.6279687401395204e-21 4.4721395798728326e-21 5.293960055745984e-21 6.106519950750912e-21 6.878000037198528e-21 7.609842274047553e-21 8.302511292518016e-21 8.955894940246464e-21 9.569528586012865e-21 1.0142723293870272e-20 1.0674661953742082e-20 1.1177120563791167e-20 1.1636833101597312e-20 1.2052485782331458e-20 1.2423053212956289e-20 1.2747526022200705e-20 1.3024862795261185e-20 1.3254038139100416e-20 1.3434026660681087e-20 1.3563835010498306e-20 1.3642453817280962e-20 1.3668873709757953e-20 1.3655591665571522e-20 1.3610939003149823e-20 1.3526039664013631e-20 1.340182291060301e-20 1.3212093155167873e-20 1.2935381230989504e-20 1.2542976133023168e-20 1.199447096689229e-20 1.1231850917157698e-20 1.0169607817567295e-20 8.677741057109377e-21 6.5511399847891206e-21 3.451456941825984e-21 -1.2050034452101633e-21 -8.528161847791489e-21 -2.081884322833728e-20 -4.35295366105152e-20 -9.245969017442306e-20 ] } }