{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.302316 2.639916 2.839286 ] [ 2.238062 3.048613 5.055223 ] [ 2.960065 4.797857 2.877262 ] [ 0.8426098 4.264099 3.709155 ] [ 4.78415 2.692863 2.00084 ] [ 4.277135 2.539995 4.347514 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.302316e-10 2.639916e-10 2.839286e-10 ] [ 2.238062e-10 3.048613e-10 5.055223e-10 ] [ 2.960065e-10 4.797856999999999e-10 2.877262e-10 ] [ 8.426098e-11 4.264099e-10 3.709155e-10 ] [ 4.78415e-10 2.692863e-10 2.00084e-10 ] [ 4.277135e-10 2.539995e-10 4.347514000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3928455 -4.4743724 -7.3131253 ] [ 0.0205186 0.4750949 4.25826 ] [ -0.6497916 -0.415317 -0.3227236 ] [ -3.3912011 4.4715049 2.4261446 ] [ -2.1526603 -0.6910469 10.2906208 ] [ 2.7802889 0.6341365 -9.3391765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.435937738086486e-09 -7.168734852032787e-09 -1.171691838064099e-08 ] [ 3.287442121154688e-11 7.611859414413139e-10 6.822484617287809e-09 ] [ -1.041080909912225e-09 -6.654111876207936e-10 -5.170602069004109e-10 ] [ -5.433303118851243e-09 7.164140610572643e-09 3.887112156800168e-09 ] [ -3.448942005184314e-09 -1.107179187056315e-09 1.648739205927819e-08 ] [ 4.454513874649749e-09 1.015998674695939e-09 -1.496301024582477e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2447645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.16073923051018e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1374737 3.0811108 1.5934284 ] [ 2.3152281 3.1318763 5.3200166 ] [ 1.7800936 4.6010012 2.4241569 ] [ 0.9919376 4.6763833 4.4823146 ] [ 4.910216 2.0613092 2.4618945 ] [ 4.2693887 2.4316622 4.5474689 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1374737e-10 3.0811108e-10 1.5934284e-10 ] [ 2.3152281e-10 3.1318763e-10 5.3200166e-10 ] [ 1.7800936e-10 4.6010012e-10 2.4241569e-10 ] [ 9.919376e-11 4.676383300000001e-10 4.4823146e-10 ] [ 4.910216e-10 2.0613092e-10 2.4618945e-10 ] [ 4.269388700000001e-10 2.4316622e-10 4.5474689e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6225378 -0.730439 0.0073365 ] [ 2.0547862 -0.9355745 0.1641761 ] [ -0.4276826 0.2595396 -0.3021665 ] [ -0.4754042 0.4519301 -0.1879285 ] [ -1.5981606 0.8764952 0.0430095 ] [ -1.1760766 0.0780486 0.2755729 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.599592129524266e-09 -1.170292288720531e-09 1.17543687784992e-11 ] [ 3.292130410382473e-09 -1.49895559091665e-09 2.630391091141229e-10 ] [ -6.852230628429582e-10 4.158282792917837e-10 -4.841241018889632e-10 ] [ -7.616814946701273e-10 7.240718404558061e-10 -3.010946490820128e-10 ] [ -2.5605355496037e-09 1.40430011768342e-09 6.89088153722976e-11 ] [ -1.884282432789953e-09 1.250476422061709e-10 4.415164577060564e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.383372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.304470234666934e-18 } }