{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8589394 -3.0016083 4.5749266 ] [ -2.2421899 1.2974919 -0.9978774 ] [ 0.767969 0.6395079 1.5218106 ] [ -2.7291898 0.5964834 -4.1423968 ] [ 0.659155 0.5922448 2.4934507 ] [ -3.4054781 2.9773703 -3.9447337 ] [ 2.0652663 -2.3345272 0.9425551 ] [ 2.0255282 -0.7669628 -0.4477352 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.58052586696398e-09 -4.809106643059233e-09 7.329840440396034e-09 ] [ -3.59238423717389e-09 2.078811187857372e-09 -1.59877584070469e-09 ] [ 1.230421977299155e-09 1.024604606196904e-09 2.438209364605621e-09 ] [ -4.372644091285828e-09 9.556717581752948e-10 -6.636851307036734e-09 ] [ 1.056082730483424e-09 9.48880772350372e-10 3.994948416657395e-09 ] [ -5.456177394466405e-09 4.770273086124283e-09 -6.320160109421881e-09 ] [ 3.308921381586119e-09 -3.740324900461686e-09 1.510139745035806e-09 ] [ 3.245253926811107e-09 -1.228809867183306e-09 -7.173508697492121e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.255488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.648551862849495e-18 } }