{ "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" [ [ 0.2482594 0.208506 0.7144033 ] [ 0.1842271 0.5542422 2.415306 ] [ 0.3347056 2.949491 0.3757933 ] [ 2.042519 0.2544893 1.784175 ] [ 2.203059 1.053322 2.694572 ] [ 1.978392 2.822156 1.26577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.482594e-11 2.08506e-11 7.144033e-11 ] [ 1.842271e-11 5.542422e-11 2.415306e-10 ] [ 3.347056e-11 2.949491e-10 3.757933e-11 ] [ 2.042519e-10 2.544893e-11 1.784175e-10 ] [ 2.203059e-10 1.053322e-10 2.694572e-10 ] [ 1.978392e-10 2.822156e-10 1.26577e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.9176089 -8.8981497 -46.9134724 ] [ -34.0846071 -0.9893552 39.5148426 ] [ -22.7927835 3.2956651 -14.5096878 ] [ -5.0138146 -125.9672669 -130.3838561 ] [ 50.2821049 126.4927451 141.1478011 ] [ 24.5267091 6.0663615 11.1443726 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.069629097621801e-08 -1.425640741771853e-08 -7.516366867982607e-08 ] [ -5.460956062477369e-08 -1.585121771106908e-09 6.330975698831189e-08 ] [ -3.651806484665599e-08 5.280237573206494e-09 -2.324708256826699e-08 ] [ -8.033016533145703e-09 -2.018218100132537e-07 -2.088979659731715e-07 ] [ 8.056081291539312e-08 2.026637189000338e-07 2.261437069997485e-07 ] [ 3.929611990518261e-08 9.719382568621218e-09 1.785525323320411e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 77.720499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.245219664547098e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.196237 0.0546407 0.4563298 ] [ -0.3540793 1.1153588 2.699426 ] [ 0.0330035 2.5826936 0.6606649 ] [ 2.6098523 0.1669213 0.9953788 ] [ 2.0595344 1.2276191 3.2384839 ] [ 2.4466143 2.6949729 1.1997361 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.96237e-11 5.46407e-12 4.563298e-11 ] [ -3.540793e-11 1.1153588e-10 2.699426e-10 ] [ 3.30035e-12 2.5826936e-10 6.606649e-11 ] [ 2.6098523e-10 1.669213e-11 9.953788e-11 ] [ 2.0595344e-10 1.2276191e-10 3.2384839e-10 ] [ 2.4466143e-10 2.6949729e-10 1.1997361e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.3e-06 1.5e-05 -6.9e-06 ] [ -1.15e-05 -1.48e-05 -1.44e-05 ] [ -7.5e-06 -1.9e-06 1.8e-05 ] [ 5.2e-06 2.6e-06 1.81e-05 ] [ 1.29e-05 1.66e-05 -5.3e-06 ] [ 8.2e-06 -1.76e-05 -9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.169588933184e-14 2.4032649312e-14 -1.105501868352e-14 ] [ -1.84250311392e-14 -2.371221398784e-14 -2.307134333952e-14 ] [ -1.2016324656e-14 -3.04413557952e-15 2.88391791744e-14 ] [ 8.33131842816e-15 4.16565921408e-15 2.899939683648e-14 ] [ 2.066807840832e-14 2.659613190528e-14 -8.491536090240001e-15 ] [ 1.313784829056e-14 -2.819830852608e-14 -1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.599118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.659471878550046e-18 } }