{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1532619 -0.2979299 2.4835551 ] [ -0.7698791 1.4824887 -2.0864217 ] [ -0.6535427 -0.0929675 -0.6262898 ] [ 1.048184 -0.1721618 0.6997732 ] [ 1.768616 -1.2802874 0.605518 ] [ -0.7476232 1.4104498 -0.8938032 ] [ -2.0157265 -2.4755539 -1.6614758 ] [ 1.2167095 1.425962 1.4791442 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.455526330393876e-10 -4.77336320417282e-10 3.979093917688606e-09 ] [ -1.233482294862545e-09 2.375208735740185e-09 -3.342816068869791e-09 ] [ -1.047090834634508e-09 -1.48950354994224e-10 -1.003426875405508e-09 ] [ 1.679375899096627e-09 -2.758336109548455e-10 1.121160260902403e-09 ] [ 2.833635206372813e-09 -2.051246540184818e-09 9.701467830735744e-10 ] [ -1.197824412207683e-09 2.259789694372036e-09 -1.432030590636227e-09 ] [ -3.229549872227011e-09 -3.966274582110261e-09 -2.661977682784977e-09 ] [ 1.949383515205258e-09 2.28464297854921e-09 2.369850256031919e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.243944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.806919972238444e-18 } }