{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7021938 2.0460886 -2.7595821 ] [ -1.1984716 -1.23189 -0.2932671 ] [ -0.027495 0.4962412 1.1991141 ] [ 0.3484604 1.3291776 0.9653588 ] [ -1.0571287 -1.0784721 1.9344866 ] [ 0.8526723 -1.3099804 2.2083133 ] [ 0.7291624 0.3372116 -3.6334029 ] [ -0.3493937 -0.5883765 0.3789793 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.125038489630711e-09 3.278195319005403e-09 -4.421337923798168e-09 ] [ -1.920163178212769e-09 -1.973705357397312e-09 -4.698656912698157e-10 ] [ -4.4051846188896e-11 7.95066048917737e-10 1.921192576691634e-09 ] [ 5.582951061546163e-10 2.129577275611054e-09 1.546675300043543e-09 ] [ -1.693706888316697e-09 -1.72790278480508e-09 3.099389203770882e-09 ] [ 1.366131624263764e-09 -2.098819970586232e-09 3.538107940661696e-09 ] [ 1.168246950046418e-09 5.402725417825613e-10 -5.821353180326921e-09 ] [ -5.597904175948089e-10 -9.426830725281313e-10 6.071917742271495e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -216.95856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.476059325144341e-17 } }