{ "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" [ [ -6.0216296 -8.2864311 -0.4002564 ] [ -3.4665233 1.0108784 4.1508328 ] [ -4.1274979 2.1274142 -1.2966746 ] [ 3.647094 -4.3190782 -3.0455174 ] [ 3.4430245 -1.648177 4.0232278 ] [ 1.5814247 2.1033717 -6.6545026 ] [ 4.9441076 9.0120221 3.2228903 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.647714164237254e-09 -1.327632617829003e-08 -6.412814464055732e-10 ] [ -5.553982586718465e-09 1.619605738951711e-09 6.650367269009803e-09 ] [ -6.612980637781096e-09 3.408493293997936e-09 -2.077501728905192e-09 ] [ 5.843288740659955e-09 -6.919926115446947e-09 -4.879456776519602e-09 ] [ 5.51633335874161e-09 -2.640670656340282e-09 6.445921521312618e-09 ] [ 2.533721681895654e-09 3.369972962592351e-09 -1.066168848877281e-08 ] [ 7.921333607439599e-09 1.443885111475292e-08 5.163639490063098e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.480161 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.999542217801995e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4109169 0.6046481 2.918838 ] [ 1.7982901 2.592012 4.0463758 ] [ 1.4691581 4.1020246 2.256266 ] [ 3.6687133 1.4158391 1.0299182 ] [ 3.7811424 3.416471 5.0387648 ] [ 3.6140483 3.7630531 1.3195116 ] [ 5.0389358 4.2276572 3.1498407 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4109169e-10 6.046481e-11 2.918838e-10 ] [ 1.7982901e-10 2.592012e-10 4.0463758e-10 ] [ 1.4691581e-10 4.1020246e-10 2.256266e-10 ] [ 3.6687133e-10 1.4158391e-10 1.0299182e-10 ] [ 3.7811424e-10 3.416471e-10 5.038764800000001e-10 ] [ 3.6140483e-10 3.7630531e-10 1.3195116e-10 ] [ 5.0389358e-10 4.2276572e-10 3.1498407e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-06 2.7e-06 -8e-07 ] [ -8.5e-06 -2e-07 1.66e-05 ] [ 8.3e-06 8e-07 -5e-06 ] [ -5e-06 -1.35e-05 -8e-06 ] [ 4e-07 -3.2e-06 -1.7e-06 ] [ -1.3e-06 8.2e-06 -1.28e-05 ] [ -1e-06 5.2e-06 1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.12152363456e-14 4.32587687616e-15 -1.28174129664e-15 ] [ -1.36185012768e-14 -3.2043532416e-16 2.659613190528e-14 ] [ 1.329806595264e-14 1.28174129664e-15 -8.010883104e-15 ] [ -8.010883104e-15 -2.16293843808e-14 -1.28174129664e-14 ] [ 6.408706483200001e-16 -5.126965186560001e-15 -2.72370025536e-15 ] [ -2.08282960704e-15 1.313784829056e-14 -2.050786074624e-14 ] [ -1.6021766208e-15 8.33131842816e-15 1.84250311392e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }