{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1170639 2.0682313 -4.2599223 ] [ 0.7045475 0.4067175 -5.4549513 ] [ 3.5716474 9.1288786 -4.2872561 ] [ -0.1081217 -0.0556393 -0.1166979 ] [ 2.9447388 -2.4112852 4.2136731 ] [ -6.9761156 -5.4431574 9.4011187 ] [ -0.7426921 -0.9073219 -1.9324474 ] [ -1.5110682 -2.7864235 2.4364832 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.39191028531967e-09 3.313671835266791e-09 -6.825147915484565e-09 ] [ 1.128809532743088e-09 6.516332697702241e-10 -8.739795440462567e-09 ] [ 5.722409962021106e-09 1.462607586704143e-08 -6.868941490802186e-09 ] [ -1.732300599411514e-10 -8.914398565767744e-11 -1.869706470764563e-10 ] [ 4.717991659722647e-09 -3.863304773521053e-09 6.751048528513861e-09 ] [ -1.117696931831816e-08 -8.720899529614514e-09 1.506225259050569e-08 ] [ -1.189923919072855e-09 -1.453689935719836e-09 -3.096122045205746e-09 ] [ -2.420998142474339e-09 -4.464342587347709e-09 3.903676420011971e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.303707 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.733665453337331e-18 } }