{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7690385 1.2626796 -1.2225123 ] [ -0.4490255 -0.1599894 -0.5294715 ] [ -0.922181 -0.3167248 -1.5820178 ] [ -0.259288 1.9060055 1.891607 ] [ 0.5637996 -1.1697776 1.0092813 ] [ 0.6750087 -1.2107006 -1.1502169 ] [ -0.9305681 0.0696428 -0.4506833 ] [ -0.4467842 -0.3811353 2.0340134 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.834312125995101e-09 2.023035734681096e-09 -1.958680625700436e-09 ] [ -7.194181582430305e-10 -2.563312762558195e-10 -8.483068586799071e-10 ] [ -1.477496838345965e-09 -5.074490697875558e-10 -2.53467193284945e-09 ] [ -4.154251716539905e-10 3.053757451216214e-09 3.030688511141626e-09 ] [ 9.033065379363916e-10 -1.874190322255534e-09 1.617046902670631e-09 ] [ 1.081483157976601e-09 -1.939756196108532e-09 -1.842850626029051e-09 ] [ -1.490934453882277e-09 1.115800659670503e-10 -7.220742466449927e-10 ] [ -7.158271997828314e-10 -6.106460670215943e-10 3.258848715873919e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.569583 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.698875429420513e-18 } }