{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] "source-value" [ 5.05932 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] "source-value" [ 0.224512 5.44129 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] "source-value" [ 0.327401 0.688972 5.24092 ] } "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" [ [ 1.95156478254388e-08 1.479872049164535e-08 -6.1165712057815e-09 ] [ -1.649984289423376e-09 -1.492273873537265e-09 6.939245321358215e-09 ] [ 1.80628344405482e-08 1.902334012580611e-08 -2.242665790866588e-08 ] [ -3.573831336318584e-08 3.094094987366876e-08 -2.046229580445042e-08 ] [ 1.001078885567725e-09 9.066443524905044e-10 -2.247517662327356e-09 ] [ -1.774332036794516e-08 -1.638798773454091e-08 1.416555326873581e-08 ] [ 3.271828140940214e-08 -2.847102141741285e-08 1.97508534416434e-08 ] [ -1.616622454040249e-08 -1.931837165790203e-08 1.039739054948773e-08 ] ] "source-value" [ [ 12.1807094 9.2366349 -3.8176635 ] [ -1.0298392 -0.9314041 4.3311363 ] [ 11.2739346 11.8734351 -13.997619 ] [ -22.3061009 19.3118221 -12.7715606 ] [ 0.6248243 0.5658829 -1.4027902 ] [ -11.0745096 -10.2285775 8.841443 ] [ 20.4211452 -17.770214 12.3275132 ] [ -10.0901638 -12.0575793 6.4895408 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.828575372386664e-18 "source-value" -17.654579 } }