{ "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" [ [ 1.909832022926527e-09 5.881535900951692e-10 1.170552001550763e-09 ] [ -1.517394240557126e-10 4.40582548953792e-12 1.737245076680965e-09 ] [ 1.694653934917252e-09 1.549128232449988e-09 -2.865588215809738e-09 ] [ -2.7755660771462e-09 2.041987881928539e-09 -1.786607337279502e-09 ] [ -3.403007120812991e-11 1.877215872586253e-10 -8.332311777664896e-10 ] [ -9.264434102997025e-10 -1.455979766546283e-09 4.745743281406848e-11 ] [ 1.352637772328062e-09 -1.281768533642554e-09 8.459784153968986e-10 ] [ -1.069344587244434e-09 -1.633648817033023e-09 1.684193804413035e-09 ] ] "source-value" [ [ 1.1920234 0.3670966 0.7306011 ] [ -0.0947083 0.0027499 1.0843031 ] [ 1.0577198 0.9668898 -1.7885595 ] [ -1.7323721 1.2745086 -1.1151126 ] [ -0.0212399 0.1171666 -0.520062 ] [ -0.5782405 -0.9087511 0.0296206 ] [ 0.8442501 -0.800017 0.5280182 ] [ -0.6674324 -1.0196434 1.0511911 ] ] } "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" 5.936526127366114e-18 "source-value" 37.052882 } }