{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7689337 -2.027572 -0.4006179 ] [ -0.2185202 -0.2783179 1.369902 ] [ 8.1242398 2.1587199 1.1017089 ] [ 1.3191999 -0.8151813 -0.755785 ] [ 3.094707 1.4465782 -2.8645545 ] [ 0.342426 2.8124965 1.2184058 ] [ -9.8931188 -3.2967235 0.3309407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.436320875235165e-09 -3.248528482152648e-09 -6.418606385421486e-10 ] [ -3.501079584970067e-10 -4.459144362039485e-10 2.194824975269868e-09 ] [ 1.301646717657283e-08 3.458650583130816e-09 1.765132257049843e-09 ] [ 2.113591255355137e-09 -1.306064431333744e-09 -1.21090106732769e-09 ] [ 4.958267244476237e-09 2.317673791293778e-09 -4.589522286719553e-09 ] [ 5.486269360740839e-10 4.506116175506781e-09 1.952101303490077e-09 ] [ -1.585052377874612e-08 -5.281933360458698e-09 5.302254567796037e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.773039 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.007772443497073e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4672258 2.3445448 2.4510422 ] [ 2.2619392 1.3869221 4.5903948 ] [ 2.5715728 4.4794218 2.1913834 ] [ 2.0384624 3.848506 4.463487 ] [ 3.7244239 1.2933179 2.5959472 ] [ 4.2956624 2.7972781 4.6083938 ] [ 4.6757814 3.4994454 2.3264726 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4672258e-10 2.3445448e-10 2.4510422e-10 ] [ 2.2619392e-10 1.3869221e-10 4.590394800000001e-10 ] [ 2.571572800000001e-10 4.4794218e-10 2.1913834e-10 ] [ 2.0384624e-10 3.848506e-10 4.463487e-10 ] [ 3.7244239e-10 1.2933179e-10 2.5959472e-10 ] [ 4.2956624e-10 2.7972781e-10 4.6083938e-10 ] [ 4.6757814e-10 3.4994454e-10 2.3264726e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.02e-05 1.15e-05 -9.4e-06 ] [ 1.78e-05 9.6e-06 5.3e-06 ] [ -3e-06 -6.5e-06 2.4e-05 ] [ 2.14e-05 4.2e-06 -2.7e-05 ] [ 5.8e-06 -1.39e-05 -4e-07 ] [ -2.38e-05 -9.1e-06 8.5e-06 ] [ -2.84e-05 4.1e-06 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.63422016668e-14 1.8425031291e-14 -1.50604603596e-14 ] [ 2.851874408519999e-14 1.53808956864e-14 8.4915361602e-15 ] [ -4.806529901999999e-15 -1.0414148121e-14 3.8452239216e-14 ] [ 3.42865799676e-14 6.729141862799999e-15 -4.325876911799999e-14 ] [ 9.2926244772e-15 -2.22702552126e-14 -6.408706536e-16 ] [ -3.81318038892e-14 -1.45798073694e-14 1.3618501389e-14 ] [ -4.550181640559999e-14 6.568924199399999e-15 -1.7623942974e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.152427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549210092579071e-18 } }