{ "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" [ [ 8.4244377 -8.1272219 8.4539677 ] [ -3.113925 1.9119726 -1.6685623 ] [ 0.2758827 0.3696547 1.4230199 ] [ -4.536262 3.3859227 -5.2119239 ] [ 0.6096944 0.5399714 3.6841194 ] [ -8.6014182 7.90699 -8.1273293 ] [ 3.7893263 -4.5532534 1.9404644 ] [ 3.1522641 -1.4340361 -0.4937558 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.34974372375287e-08 -1.302124502751308e-08 1.354474951353072e-08 ] [ -4.989057875028449e-09 3.063317824568228e-09 -2.673331529433298e-09 ] [ 4.420128156648317e-10 5.922521229882797e-10 2.279929233497016e-09 ] [ -7.267892982102107e-09 5.424846234470191e-09 -8.350422690766152e-09 ] [ 9.768381215606495e-10 8.651295601082675e-10 5.902610019546099e-09 ] [ -1.378099125930234e-08 1.266839462327166e-08 -1.302141710128357e-08 ] [ 6.071170056461673e-09 -7.295116206161055e-09 3.108966720788829e-09 ] [ 5.050483885217039e-09 -2.297579131732487e-09 -7.910840056619771e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.197211 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.478997241216777e-18 } }