{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.5944673 -9.8270628 -4.4182596 ] [ -5.869697 -3.6763906 5.5770555 ] [ -10.0951882 3.0319646 -5.5661948 ] [ 2.1759523 -3.7079275 -2.6776709 ] [ 9.0697298 2.6360184 9.1604079 ] [ 1.0981542 2.7891689 -0.7994594 ] [ 14.2155161 8.754229 -1.2758788 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.697420795773707e-08 -1.574469039901062e-08 -7.078832294066186e-09 ] [ -9.404291382059898e-09 -5.89022711677724e-09 8.935428008621187e-09 ] [ -1.617427464987252e-08 4.857742837235156e-09 -8.918027248852302e-09 ] [ 3.486259931758558e-09 -5.940754801066034e-09 -4.29010174952175e-09 ] [ 1.453130916225349e-08 4.223367087274066e-09 1.467659149528901e-08 ] [ 1.759436999768963e-09 4.468741239859482e-09 -1.280875170511659e-09 ] [ 2.277576773567081e-08 1.402582115248519e-08 -2.044183201175959e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.2592034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.323270270293335e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7216613 0.9444787 2.6153629 ] [ 1.9948332 2.9166814 4.3077427 ] [ 1.543518 3.9381839 2.1742075 ] [ 4.1355117 1.428525 2.0437203 ] [ 4.4615342 2.4717667 4.2527291 ] [ 3.6853285 3.6353882 1.0896362 ] [ 4.238818 4.786681 3.2761163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7216613e-10 9.444787e-11 2.6153629e-10 ] [ 1.9948332e-10 2.9166814e-10 4.307742700000001e-10 ] [ 1.543518e-10 3.9381839e-10 2.1742075e-10 ] [ 4.1355117e-10 1.428525e-10 2.0437203e-10 ] [ 4.4615342e-10 2.4717667e-10 4.2527291e-10 ] [ 3.6853285e-10 3.6353882e-10 1.0896362e-10 ] [ 4.238818e-10 4.786681e-10 3.2761163e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 1.93e-05 1.72e-05 ] [ -6.2e-06 8.5e-06 -9.49e-05 ] [ 4.44e-05 4.72e-05 7.31e-05 ] [ -4e-06 -1.21e-05 6.3e-06 ] [ 7.39e-05 -7.9e-05 4.07e-05 ] [ 2.1e-06 -5.97e-05 -6.82e-05 ] [ -0.0001082 7.58e-05 2.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.364570931399999e-15 3.09220090362e-14 2.75574381048e-14 ] [ -9.9334951308e-15 1.3618501389e-14 -1.520465625666e-13 ] [ 7.11366425496e-14 7.562273712480001e-14 1.171191119454e-13 ] [ -6.408706535999999e-15 -1.93863372714e-14 1.00937127942e-14 ] [ 1.184008532526e-13 -1.26571954086e-13 6.520858900379999e-14 ] [ 3.364570931399999e-15 -9.56499450498e-14 -1.092684464388e-13 ] [ -1.733555117988e-13 1.214449888572e-13 4.11759394938e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.495245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.963264937910533e-18 } }