{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43182e-10 0.0 0.0 ] "source-value" [ 5.43182 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] "source-value" [ -0.00436542 5.42411 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] "source-value" [ 0.250705 -0.013062 5.36378 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.003624063010086e-09 1.31384795481486e-09 5.361845240475252e-09 ] [ -7.858049873965267e-09 -5.83994611957598e-09 4.961876587117443e-09 ] [ 1.161681214232613e-08 1.02352586067812e-09 2.207788168226055e-09 ] [ 4.331979566908627e-10 -3.406736507333228e-09 -8.618298862518737e-09 ] [ 2.015480831043375e-09 -8.014677378673379e-09 -5.05170758611012e-09 ] [ -3.439605641361927e-10 -5.536143151134167e-09 2.166243408013386e-09 ] [ -2.594441772559043e-09 2.93116434359311e-09 -6.186871030895977e-09 ] [ -2.65414656389783e-10 1.752896499763067e-08 5.159124075692697e-09 ] ] "source-value" [ [ -1.8747147 0.8200394 3.3466006 ] [ -4.904609 -3.6450077 3.0969598 ] [ 7.2506439 0.6388346 1.377993 ] [ 0.2703809 -2.1263177 -5.3791191 ] [ 1.2579642 -5.0023682 -3.1530279 ] [ -0.2146833 -3.4553888 1.3520628 ] [ -1.6193232 1.8294889 -3.8615412 ] [ -0.1656588 10.9407195 3.220072 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.741723781038028e-18 "source-value" -17.112494 } }