{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.448876 1.489587 3.211478 ] [ 1.818052 3.686595 2.502768 ] [ 2.645526 3.343853 4.556562 ] [ 4.834539 1.578647 2.504909 ] [ 4.649923 2.062861 4.836234 ] [ 4.865091 3.729921 2.57452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.448876e-10 1.489587e-10 3.211478e-10 ] [ 1.818052e-10 3.686595e-10 2.502768e-10 ] [ 2.645526e-10 3.343853e-10 4.556562e-10 ] [ 4.834539e-10 1.578647e-10 2.504909e-10 ] [ 4.649923e-10 2.062861e-10 4.836234000000001e-10 ] [ 4.865090999999999e-10 3.729921e-10 2.57452e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5031214 -6.3967014 -3.1741312 ] [ -0.9206461 2.8233126 -4.0861993 ] [ 0.0136078 3.5754463 6.1551155 ] [ 0.5850391 -4.1487758 -2.111226 ] [ 3.0999517 -0.8002927 4.8979891 ] [ -0.274831 4.947011 -1.6815479 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.010442586104165e-09 -1.024864543331863e-08 -5.085518799991849e-09 ] [ -1.475037657450699e-09 4.523445440930062e-09 -6.546812986389324e-09 ] [ 2.180209902052224e-11 5.728496470785863e-09 9.861582152423703e-09 ] [ 9.373359682738734e-10 -6.647071591700817e-09 -3.382556938425101e-09 ] [ 4.966670139349216e-09 -1.282210253736908e-09 7.847443624953233e-09 ] [ -4.403278028710848e-10 7.925985367040429e-09 -2.694136732135337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.007003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.603298625087546e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.44596 1.295034 2.6783802 ] [ 2.2469597 3.7045938 2.7448409 ] [ 2.6950932 3.4908916 5.0662135 ] [ 4.8449355 1.5943939 2.7512627 ] [ 4.5369434 1.9948391 5.0707613 ] [ 4.4921153 3.8117116 1.8750125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.44596e-10 1.295034e-10 2.6783802e-10 ] [ 2.2469597e-10 3.7045938e-10 2.7448409e-10 ] [ 2.6950932e-10 3.4908916e-10 5.0662135e-10 ] [ 4.8449355e-10 1.5943939e-10 2.7512627e-10 ] [ 4.5369434e-10 1.9948391e-10 5.0707613e-10 ] [ 4.4921153e-10 3.8117116e-10 1.8750125e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.5e-06 4.6e-06 1.43e-05 ] [ -3.8e-06 -2.1e-06 -4.82e-05 ] [ 2.03e-05 -9.3e-06 -1e-05 ] [ -1.98e-05 2.48e-05 -2e-05 ] [ 1.6e-05 -1.55e-05 3.99e-05 ] [ -8.3e-06 -2.5e-06 2.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.2097947936e-15 7.370012455680001e-15 2.291112567744e-14 ] [ -6.08827115904e-15 -3.36457090368e-15 -7.722491312256001e-14 ] [ 3.252418540224e-14 -1.490024257344e-14 -1.6021766208e-14 ] [ -3.172309709184e-14 3.973398019584e-14 -3.2043532416e-14 ] [ 2.56348259328e-14 -2.48337376224e-14 6.392684716992e-14 ] [ -1.329806595264e-14 -4.005441552e-15 3.861245656128e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.154569 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.267811952930044e-18 } }