{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.137254 -5.3712665 1.7942723 ] [ 3.2583422 -2.4273508 -2.2657153 ] [ 2.8560385 -5.8147596 1.2474999 ] [ 3.8487465 4.3678428 0.3455126 ] [ -1.9732598 0.0864942 -9.3872869 ] [ 2.33447 0.5998492 4.7459285 ] [ -2.1870835 8.5591907 3.519789 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.303731811631128e-08 -8.605717610386242e-09 2.874741130409044e-09 ] [ 5.220439695406038e-09 -3.889044702240177e-09 -3.630076083048859e-09 ] [ 4.575878112804701e-09 -9.31627188669236e-09 1.998715174230338e-09 ] [ 6.166371661685827e-09 6.99805561748961e-09 5.535722099118221e-10 ] [ -3.161510718324484e-09 1.385789850747994e-10 -1.504009160392211e-08 ] [ 3.740233255958976e-09 9.610643642455833e-10 7.603815686688413e-09 ] [ -3.504094051437437e-09 1.371333523250879e-08 5.639323645949011e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3822609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.342986244342597e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4382592 2.0188189 2.7359108 ] [ 6.0165802 2.0532925 1.890983 ] [ 4.5009172 1.3853254 3.3648312 ] [ 5.3333987 4.1378793 1.5103304 ] [ 3.1859835 3.7017438 1.4932683 ] [ 4.293946 3.2051142 4.6291749 ] [ 3.1278242 4.8462809 3.7284845 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4382592e-10 2.0188189e-10 2.7359108e-10 ] [ 6.0165802e-10 2.0532925e-10 1.890983e-10 ] [ 4.5009172e-10 1.3853254e-10 3.3648312e-10 ] [ 5.3333987e-10 4.1378793e-10 1.5103304e-10 ] [ 3.1859835e-10 3.7017438e-10 1.4932683e-10 ] [ 4.293946e-10 3.2051142e-10 4.6291749e-10 ] [ 3.1278242e-10 4.8462809e-10 3.7284845e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5613451 0.6746243 -0.8835454 ] [ 0.1488519 0.9789493 -0.1080715 ] [ -0.1787016 -0.1486591 0.2035423 ] [ 1.4021688 -0.9427755 -0.3459176 ] [ -1.7610609 -0.8001299 0.7838216 ] [ -0.4618101 0.3113171 -0.1841323 ] [ 0.2892068 -0.0733263 0.5343029 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.993739954206382e-10 1.080867281283565e-09 -1.415595783295385e-09 ] [ 2.384870341416595e-10 1.568449681408526e-09 -1.731496306747872e-10 ] [ -2.863115256195533e-10 -2.381781344891693e-10 3.261107144038599e-10 ] [ 2.246522069775191e-09 -1.51049286476303e-09 -5.542210914432461e-10 ] [ -2.821530601785007e-09 -1.281949419383042e-09 1.255820642398049e-09 ] [ -7.399013454693101e-10 4.987849792752557e-10 -2.950124661941319e-10 ] [ 4.633603735363814e-10 -1.17481683549767e-10 8.560476148056404e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.452451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.315537910545758e-18 } }