{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0562169 0.1968178 1.270009 ] [ 0.319021 0.1442605 2.935142 ] [ 0.1524012 2.469722 2.823059 ] [ 2.088827 0.2993275 0.454611 ] [ 2.473305 0.2789971 2.995912 ] [ 2.138376 2.393894 2.931206 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.62169e-12 1.968178e-11 1.270009e-10 ] [ 3.19021e-11 1.442605e-11 2.935142e-10 ] [ 1.524012e-11 2.469722e-10 2.823059e-10 ] [ 2.088827e-10 2.993275e-11 4.54611e-11 ] [ 2.473305e-10 2.789971e-11 2.995912e-10 ] [ 2.138376e-10 2.393894e-10 2.931206e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0324319 -2.0009141 -17.1936616 ] [ -5.5887743 -6.3407022 16.7618123 ] [ -6.4547856 5.865362 0.9130163 ] [ 4.004354 -0.1913748 -4.2369515 ] [ 8.7713094 -3.791629 2.8930054 ] [ 7.3003284 6.4592581 0.8627791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.286937459834812e-08 -3.205817791249074e-09 -2.754728264146672e-08 ] [ -8.954203522387885e-09 -1.015892482429513e-08 2.685538378929788e-08 ] [ -1.03417065805965e-08 9.397345868928731e-09 1.462813370269319e-09 ] [ 6.415682360206964e-09 -3.066162303702759e-10 -6.788344636763491e-09 ] [ 1.405318685448328e-08 -6.074859338547283e-09 4.635105615728152e-09 ] [ 1.169641548664227e-08 1.034887231553303e-08 1.382324502934865e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3402641 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.147339806717553e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.1008471 -0.1911889 0.699753 ] [ 0.0967574 0.2689594 3.0251014 ] [ 0.0449202 2.6208444 3.377206 ] [ 2.2576857 -0.0638382 0.4376358 ] [ 2.5261685 0.4000954 2.7551143 ] [ 2.4034625 2.7481467 3.1151285 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.008471e-11 -1.911889e-11 6.99753e-11 ] [ 9.675739999999999e-12 2.689594e-11 3.0251014e-10 ] [ 4.49202e-12 2.6208444e-10 3.377206e-10 ] [ 2.2576857e-10 -6.38382e-12 4.376358e-11 ] [ 2.5261685e-10 4.000954e-11 2.7551143e-10 ] [ 2.4034625e-10 2.7481467e-10 3.1151285e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.44e-05 2.18e-05 1.76e-05 ] [ 1.98e-05 6.9e-06 -1.94e-05 ] [ 2.21e-05 -1.25e-05 -3.6e-06 ] [ -1.26e-05 -1.6e-06 2e-05 ] [ -7.3e-06 -5.7e-06 -4.1e-06 ] [ -3.64e-05 -8.9e-06 -1.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.307134333952e-14 3.492745033344e-14 2.819830852608e-14 ] [ 3.172309709184e-14 1.105501868352e-14 -3.108222644352e-14 ] [ 3.540810331968e-14 -2.002720776e-14 -5.76783583488e-15 ] [ -2.018742542208e-14 -2.56348259328e-15 3.2043532416e-14 ] [ -1.169588933184e-14 -9.13240673856e-15 -6.568924145279999e-15 ] [ -5.831922899712e-14 -1.425937192512e-14 -1.698307218048e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5454487 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.529349474218575e-18 } }