{ "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" [ [ 1.3217031 1.3654671 -3.1860231 ] [ -1.7977469 -1.7739298 0.4170403 ] [ 0.0818808 0.0853125 0.7446441 ] [ 0.2117594 0.8203678 0.5469072 ] [ -0.090751 -0.652028 1.5627146 ] [ -0.0757205 -0.4291359 1.873911 ] [ 0.7315659 0.7433901 -2.9796341 ] [ -0.3826909 -0.159444 1.02044 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.117601823905365e-09 2.187719482115741e-09 -5.104571766204244e-09 ] [ -2.880308077025934e-09 -2.842148875916293e-09 6.681722240963501e-10 ] [ 1.311875045332272e-10 1.36685694088125e-10 1.193051377665959e-09 ] [ 3.392759627098595e-10 1.314374120445985e-09 8.762419368063648e-10 ] [ -1.45399131712134e-10 -1.044664026313752e-09 2.503744817730656e-09 ] [ -1.21317615814797e-10 -6.875515117905606e-10 3.002336418395574e-09 ] [ 1.17209779121118e-09 1.191042248166923e-09 -4.773900132889619e-09 ] [ -6.131384180244306e-10 -2.55457451231496e-10 1.63492512439896e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.967634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762650277506394e-18 } }