{ "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" [ [ 1.6235496 1.6295877 -5.057502 ] [ -2.6305803 -2.5682762 0.9680737 ] [ 0.3369416 0.1537588 0.9842077 ] [ -0.0318651 1.2261694 0.9143499 ] [ 0.2071299 -0.7423861 2.1011962 ] [ -0.0362052 -0.8806867 2.7347936 ] [ 1.1122367 1.1030925 -4.3086506 ] [ -0.5812071 0.0787407 1.6635314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.601213211829192e-09 2.610887314483244e-09 -8.103011464049242e-09 ] [ -4.21465425579705e-09 -4.114832083397065e-09 1.551025049351353e-09 ] [ 5.398399540949454e-10 2.46348754602263e-10 1.57687456695134e-09 ] [ -5.105351823945408e-11 1.964539945820364e-09 1.464950033010818e-09 ] [ 3.318586832486419e-10 -1.189433653026891e-09 3.366487427353801e-09 ] [ -5.800712499138816e-11 -1.411015640989503e-09 4.381622368633468e-09 ] [ 1.781999637535743e-09 1.767349014079824e-09 -6.903219258515893e-09 ] [ -9.311964274629678e-10 1.261565086454266e-10 2.665271117046693e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.479336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.68441626607078e-18 } }