{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8396134 -2.8000162 -3.6431102 ] [ 0.6107629 0.1189736 -2.3715953 ] [ -3.4709017 -1.4451102 0.7517678 ] [ 0.7002416 -0.978002 0.6466756 ] [ 4.4025783 -1.1005529 1.8001416 ] [ 1.7394917 3.0625348 1.2655093 ] [ -0.1425595 3.1421727 1.5506112 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.151738822390399e-09 -4.486120493501257e-09 -5.836905989438013e-09 ] [ 9.785500392320084e-10 1.906167204124109e-10 -3.799714543659162e-09 ] [ -5.560997556834975e-09 -2.315321776919612e-09 1.20446479343025e-09 ] [ 1.121910720431585e-09 -1.566931939495642e-09 1.036088527561813e-09 ] [ 7.053708023501409e-09 -1.76328012633364e-09 2.884144785649505e-09 ] [ 2.786972933815648e-09 4.906721656946403e-09 2.027569413864974e-09 ] [ -2.284054979729376e-10 5.034315638456012e-09 2.484353012590633e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.604394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.42271146981518e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7064309 1.6262412 1.349076 ] [ 1.6461317 2.7140461 5.1604414 ] [ 1.5471888 1.2626318 3.3278105 ] [ 1.2276897 3.5310133 3.0460312 ] [ 3.8594033 1.760933 3.390013 ] [ 3.9197801 3.5262184 1.8430688 ] [ 3.2708005 3.9616272 4.0295471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7064309e-10 1.6262412e-10 1.349076e-10 ] [ 1.6461317e-10 2.7140461e-10 5.1604414e-10 ] [ 1.5471888e-10 1.2626318e-10 3.3278105e-10 ] [ 1.2276897e-10 3.5310133e-10 3.0460312e-10 ] [ 3.8594033e-10 1.760933e-10 3.390013e-10 ] [ 3.9197801e-10 3.5262184e-10 1.8430688e-10 ] [ 3.2708005e-10 3.9616272e-10 4.0295471e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.14e-05 3.19e-05 3.68e-05 ] [ -3.34e-05 1.51e-05 2.14e-05 ] [ 4.5e-05 6.36e-05 1.4e-05 ] [ 0.0001532 -8.09e-05 -4.85e-05 ] [ -3.8e-05 4.25e-05 -4.01e-05 ] [ -5.8e-05 -2.9e-06 2.98e-05 ] [ -3.75e-05 -6.93e-05 -1.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.030834589312e-14 5.110943420352001e-14 5.896009964544001e-14 ] [ -5.351269913472e-14 2.419286697408e-14 3.428657968511999e-14 ] [ 7.209794793600001e-14 1.0189843308288e-13 2.24304726912e-14 ] [ 2.4545345830656e-13 -1.2961608862272e-13 -7.77055661088e-14 ] [ -6.08827115904e-14 6.8092506384e-14 -6.424728249408e-14 ] [ -9.29262440064e-14 -4.646312200320001e-15 4.774486329984001e-14 ] [ -6.008162327999999e-14 -1.1103083982144e-13 -2.146916671872e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.111841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.824448765944689e-18 } }