{ "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" [ [ 17.9107314 6.9331148 -7.6506848 ] [ 3.4085228 -4.4687537 8.7403562 ] [ 17.2771035 15.7204656 -13.3877236 ] [ -30.1453953 23.2072154 -14.8974711 ] [ -1.6009502 3.1275322 -7.1471904 ] [ -14.3660089 -13.4676855 7.9846683 ] [ 21.9269504 -19.7426771 15.9891906 ] [ -14.4109537 -11.3092116 10.3688548 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.86961553469301e-08 1.110807453339958e-08 -1.225774842065896e-08 ] [ 5.461055586616255e-09 -7.159732761241045e-09 1.400359447647703e-08 ] [ 2.768097153089962e-08 2.518696265992079e-08 -2.144949793437036e-08 ] [ -4.829824797235341e-08 3.718205825408496e-08 -2.386838010211028e-08 ] [ -2.565005002637626e-09 5.010859012922615e-09 -1.145106145762911e-08 ] [ -2.301688378341604e-08 -2.15776110221606e-08 1.27928489805005e-08 ] [ 3.513084758575695e-08 -3.163125594222688e-08 2.561750757589244e-08 ] [ -2.308889329179584e-08 -1.811935457448175e-08 1.661273688189874e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5281057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.366353168482221e-18 } }