{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0794809 -1.9682791 -2.2729742 ] [ 0.8897203 0.1750169 5.1463896 ] [ -1.5734252 -3.4383504 -4.1960129 ] [ -0.661104 -0.1690743 6.3411996 ] [ 1.0313779 0.3376034 -6.0116047 ] [ 1.2988126 1.4066321 5.0965876 ] [ 1.4236516 1.190575 -3.7483859 ] [ -0.3295523 2.4658764 -0.3551991 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.33169570882929e-09 -3.153530783210549e-09 -3.641706152924843e-09 ] [ 1.42548907545547e-09 2.804079877351146e-10 8.245425166580606e-09 ] [ -2.520905090786777e-09 -5.508844670384553e-09 -6.722753824342578e-09 ] [ -1.059205381443936e-09 -2.708868928699062e-10 1.015972183065015e-08 ] [ 1.652449572203989e-09 5.409002790389556e-10 -9.63165258318458e-09 ] [ 2.080927199664788e-09 2.253673083254351e-09 8.165633565854137e-09 ] [ 2.280941328476714e-09 1.90751144602455e-09 -6.00557630419506e-09 ] [ -5.280009947409582e-10 3.950769550412037e-09 -5.690916984378293e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.52804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.570695910181736e-18 } }