{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2359083999999998 0.37397919999999996 -0.5223799999999997 ] [ 0.8694936999999999 2.4980771999999996 0.5152918999999998 ] [ 0.23480309999999996 -0.9945374999999999 -1.6686073999999993 ] [ 0.5555564999999999 0.21220089999999997 -1.6845730999999993 ] [ -19.808160099999995 17.458606299999996 21.80220979999999 ] [ -0.6949460999999999 -1.8973756999999998 1.4196316999999994 ] [ 0.7764737999999999 -0.8371289999999999 0.7833720999999997 ] [ 19.302687599999995 -16.813821499999996 -20.644944899999988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.980143543930334e-09 5.991807309054873e-10 -8.369450231735036e-10 ] [ 1.393082478072889e-09 4.002360886793525e-09 8.255886350676112e-10 ] [ 3.761960373113644e-10 -1.59342473100888e-09 -2.673403765573873e-09 ] [ 8.90099635833475e-10 3.399833208927187e-10 -2.698983636848579e-09 ] [ -3.173617101328338e-08 2.797177084561159e-08 3.493099082333663e-08 ] [ -1.113426394136139e-09 -3.039930987414034e-09 2.274500719886559e-09 ] [ 1.244048169023735e-09 -1.341228512393683e-09 1.255100464006999e-09 ] [ 3.092631479132605e-08 -2.693871171360438e-08 -3.307684805648417e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -32.115037 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.145396145752697e-18 } }