{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7243326 7.2400353 3.5948516 ] [ 0.4711971 -1.1887916 -0.3449995 ] [ -2.8146583 1.7066164 -2.4147693 ] [ 3.9454552 -7.0725564 -3.4944803 ] [ -0.1575938 2.0792164 -3.6359917 ] [ 2.0684265 -2.517473 3.4535864 ] [ 0.3108263 2.2585545 2.1495425 ] [ 0.9006796 -2.5056016 0.6922603 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.56921524060328e-09 1.159981529142671e-08 5.759587188765474e-09 ] [ 7.549409774087596e-10 -1.904654108523425e-09 -5.527501330876896e-10 ] [ -4.509579723800672e-09 2.734300896753861e-09 -3.868886917085582e-09 ] [ 6.321316079853789e-09 -1.133148451336941e-08 -5.59877463850617e-09 ] [ -2.524931019430311e-10 3.331271905663941e-09 -5.825500895162847e-09 ] [ 3.313984580143172e-09 -4.033436384095238e-09 5.533255387992837e-09 ] [ 4.97998630989767e-10 3.618603216702633e-09 3.443946738915984e-09 ] [ 1.443047797951496e-09 -4.014416304559073e-09 1.109123268167994e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.898537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.431144346072377e-18 } }