{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6077312 -7.2907396 7.3121846 ] [ -0.4798775 0.1569087 7.2123397 ] [ -2.4712106 -3.7352332 0.6953299 ] [ 18.1777601 -20.9749766 10.7397123 ] [ 0.5004281 1.2325862 -3.3192532 ] [ 5.8813363 4.3488408 -12.7387746 ] [ -25.4773969 24.2442035 -14.6403554 ] [ 4.4766918 2.0184103 4.7388165 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.73692720370729e-10 -1.168105253546074e-08 1.17154112130938e-08 ] [ -7.68848511347952e-10 2.51395450740121e-10 1.155544204860769e-08 ] [ -3.95931584839314e-09 -5.984503306275971e-09 1.114041309523202e-09 ] [ 2.912398225073107e-08 -3.360561713034708e-08 1.72069159611782e-08 ] [ 8.017742022113646e-10 1.974820792760713e-09 -5.318029875555587e-09 ] [ 9.422939518922375e-09 6.967611057341168e-09 -2.040976684176087e-08 ] [ -4.081928967202239e-08 3.884349603761753e-08 -2.345643514208304e-08 ] [ 7.17245094048707e-09 3.233849793841915e-09 7.592421006561284e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -223.59759 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.582428311652239e-17 } }