{ "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" [ 5.43385 0 0 ] "si-unit" "m" "si-value" [ 5.43385e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0231251 5.41563 0 ] "si-unit" "m" "si-value" [ 2.31251e-12 5.415630000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0358168 0.0829392 5.41654 ] "si-unit" "m" "si-value" [ -3.581680000000001e-12 8.29392e-12 5.41654e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.133361 0.0745448 0.100028 ] [ 1.34132 1.25343 1.22744 ] [ -0.0690566 2.71113 2.67907 ] [ 1.35774 4.10829 3.9369 ] [ 2.76453 -0.015077 2.69424 ] [ 4.18319 1.35081 4.12938 ] [ 2.74151 2.8117 -0.150387 ] [ 4.06649 4.0541 1.2862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.33361e-11 7.45448e-12 1.00028e-11 ] [ 1.34132e-10 1.25343e-10 1.22744e-10 ] [ -6.90566e-12 2.71113e-10 2.67907e-10 ] [ 1.35774e-10 4.108290000000001e-10 3.9369e-10 ] [ 2.76453e-10 -1.5077e-12 2.69424e-10 ] [ 4.18319e-10 1.35081e-10 4.129380000000001e-10 ] [ 2.74151e-10 2.8117e-10 -1.50387e-11 ] [ 4.06649e-10 4.0541e-10 1.2862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0681751 -2.3390335 -1.0835281 ] [ 0.8667916 1.9583758 1.2569414 ] [ 1.2961934 -0.4559418 -0.6158971 ] [ -1.3212648 0.8840774 0.7595409 ] [ -0.0536751 0.538543 -0.3088873 ] [ -2.4319394 1.3403863 -1.5497986 ] [ 0.0655402 -1.8738387 0.8637713 ] [ -0.489821 -0.0525686 0.6778576 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.313581792940702e-09 -3.747544788967997e-09 -1.736003389799845e-09 ] [ 1.388753236625825e-09 3.137663921500497e-09 2.013842124795621e-09 ] [ 2.076730761515263e-09 -7.304992924054695e-10 -9.867759344385197e-10 ] [ -2.116899572445988e-09 1.41644814125765e-09 1.216918672521391e-09 ] [ -8.599699033910208e-11 8.628410038954944e-10 -4.948920105220358e-10 ] [ -3.896396449882379e-09 2.147535592700615e-09 -2.483051083868571e-09 ] [ 1.050069761625562e-10 -3.002220556290265e-09 1.383914182578023e-09 ] [ -7.847797545768768e-10 -8.422418190818687e-11 1.086047598951598e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.857274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.66213900180197e-18 } }