{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3374605 1.7512795 3.1050732 ] [ 2.8370245 0.9938263 -0.2418608 ] [ -3.7714942 -0.4993074 -1.5331114 ] [ 7.0590035 1.0589016 -0.2510192 ] [ -1.6905293 0.1717138 -2.3363482 ] [ 0.4419373 -4.202774 1.1667211 ] [ -3.5384814 0.7263602 0.0905453 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.142847944343478e-09 2.805859071386314e-09 4.974875686912643e-09 ] [ 4.54541432653681e-09 1.592285262996167e-09 -3.875037192479847e-10 ] [ -6.042599832722799e-09 -7.99978642872434e-10 -2.456315242161957e-09 ] [ 1.130977037384537e-08 1.696547387247713e-09 -4.021770936119194e-10 ] [ -2.70852652123739e-09 2.75115835828727e-10 -3.743242464088163e-09 ] [ 7.080616099194758e-10 -6.733586245306099e-09 1.869293269414059e-09 ] [ -5.669272172215654e-09 1.163757330719612e-09 1.450695627833222e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.205274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.71789474820581e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4594776 1.1098559 2.6687253 ] [ 1.4973772 1.6768429 4.8356083 ] [ 2.2350084 3.9249887 5.4223209 ] [ 1.6984545 3.3836214 3.1070791 ] [ 3.7917312 3.0075791 1.9162361 ] [ 3.7561841 2.4030589 4.2772974 ] [ 3.653 4.7474302 3.6180539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4594776e-10 1.1098559e-10 2.6687253e-10 ] [ 1.4973772e-10 1.6768429e-10 4.8356083e-10 ] [ 2.2350084e-10 3.9249887e-10 5.4223209e-10 ] [ 1.6984545e-10 3.3836214e-10 3.1070791e-10 ] [ 3.7917312e-10 3.0075791e-10 1.9162361e-10 ] [ 3.7561841e-10 2.4030589e-10 4.2772974e-10 ] [ 3.653e-10 4.747430200000001e-10 3.6180539e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-06 1.77e-05 1.44e-05 ] [ -1.1e-05 2.23e-05 -2.97e-05 ] [ 9.6e-06 -6.3e-06 4.3e-06 ] [ -1e-06 -3.25e-05 1.14e-05 ] [ -1.39e-05 2.67e-05 3.74e-05 ] [ 4.3e-06 1.72e-05 -1.15e-05 ] [ 3e-06 -4.51e-05 -2.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-14 2.835852618816e-14 2.307134333952e-14 ] [ -1.76239428288e-14 3.572853864384e-14 -4.758464563776e-14 ] [ 1.538089555968e-14 -1.009371271104e-14 6.889359469440001e-15 ] [ -1.6021766208e-15 -5.207074017599999e-14 1.826481347712e-14 ] [ -2.227025502912e-14 4.277811577536e-14 5.992140561792e-14 ] [ 6.889359469440001e-15 2.755743787776e-14 -1.84250311392e-14 ] [ 4.8065298624e-15 -7.225816559807999e-14 -4.229746278912e-14 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }