{ "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" [ [ -4.1568703 -3.2475929 -1.3128492 ] [ -2.7122051 2.977942 2.4151211 ] [ -0.7938146 -0.4618013 0.8287385 ] [ 3.4076901 0.2370789 -0.5334001 ] [ 2.5932996 -3.6370078 0.2116015 ] [ 0.0816601 -2.0617857 -5.9646588 ] [ 1.5802401 6.1931668 4.355447 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.660040410357881e-09 -5.203217418256072e-09 -2.103416294875984e-09 ] [ -4.345431602034526e-09 4.771189050498395e-09 3.869450562820779e-09 ] [ -1.271831193369704e-09 -7.39887246315047e-10 1.327785449456861e-09 ] [ 5.459721409151614e-09 3.798422708649811e-10 -8.546011697523822e-10 ] [ 4.154923989849991e-09 -5.827128866827243e-09 3.390229762262112e-10 ] [ 1.308339030721901e-10 -3.303344845639763e-09 -9.556436880408983e-09 ] [ 2.531823743470654e-09 9.92254705567475e-09 6.978195356533497e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.926236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.474276242614331e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1588897 1.4593339 2.9139479 ] [ 2.0576317 3.2486304 4.4590382 ] [ 1.7221729 3.6614565 2.1756571 ] [ 4.2621482 1.6818886 1.9064275 ] [ 4.0855714 2.1149114 4.1648655 ] [ 3.6951027 3.6980587 0.9307933 ] [ 3.7996883 4.2574254 3.2087857 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1588897e-10 1.4593339e-10 2.9139479e-10 ] [ 2.0576317e-10 3.2486304e-10 4.4590382e-10 ] [ 1.7221729e-10 3.6614565e-10 2.1756571e-10 ] [ 4.2621482e-10 1.6818886e-10 1.9064275e-10 ] [ 4.0855714e-10 2.1149114e-10 4.164865500000001e-10 ] [ 3.6951027e-10 3.6980587e-10 9.307933e-11 ] [ 3.7996883e-10 4.2574254e-10 3.2087857e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-05 3.49e-05 1.6e-06 ] [ 2e-07 -2.06e-05 -5.2e-06 ] [ 2.46e-05 -1.06e-05 1.44e-05 ] [ -4.6e-06 4.2e-06 -1.51e-05 ] [ 1.14e-05 4.14e-05 -2.22e-05 ] [ 1.4e-05 -3.58e-05 -2.15e-05 ] [ -2.64e-05 -1.34e-05 4.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.04413557952e-14 5.591596406592e-14 2.56348259328e-15 ] [ 3.2043532416e-16 -3.300483838848e-14 -8.33131842816e-15 ] [ 3.941354487168e-14 -1.698307218048e-14 2.307134333952e-14 ] [ -7.370012455680001e-15 6.72914180736e-15 -2.419286697408e-14 ] [ 1.826481347712e-14 6.633011210111999e-14 -3.556832098176e-14 ] [ 2.24304726912e-14 -5.735792302464001e-14 -3.44467973472e-14 ] [ -4.229746278912e-14 -2.146916671872e-14 7.706469546047999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639051890644e-18 } }