{ "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" [ [ 2.147227 2.362862 2.450911 ] [ 2.622761 1.752099 4.557796 ] [ 1.686581 4.667086 2.204349 ] [ 1.229897 3.438837 4.460251 ] [ 4.850673 1.640741 2.950795 ] [ 3.668046 3.670667 2.833872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.147227e-10 2.362862e-10 2.450911e-10 ] [ 2.622761e-10 1.752099e-10 4.557796e-10 ] [ 1.686581e-10 4.667086e-10 2.204349e-10 ] [ 1.229897e-10 3.438837e-10 4.460251000000001e-10 ] [ 4.850672999999999e-10 1.640741e-10 2.950795e-10 ] [ 3.668046e-10 3.670667e-10 2.833872e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.4513449 -12.6534134 -12.7156105 ] [ 0.8117588 -8.2261279 10.1483985 ] [ -3.2524948 4.0631575 -2.3033501 ] [ -4.7742132 4.4650374 4.9725845 ] [ 2.3427932 -2.008914 -0.7007142 ] [ 16.3235009 14.3602605 0.5986919 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.834707707549731e-08 -2.027300312279744e-08 -2.0372653862299e-08 ] [ 1.300580971088663e-09 -1.31797098010906e-08 1.625952681526179e-08 ] [ -5.211071127833573e-09 6.509895953128175e-09 -3.690373679737342e-09 ] [ -7.649132771754755e-09 7.153778533277618e-09 7.966958630852458e-09 ] [ 3.753568492409218e-09 -3.218635043997811e-09 -1.122667909102575e-09 ] [ 2.615313151158775e-08 2.300767364169772e-08 9.592101652423317e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 4.6599723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.466098672635603e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.66014 2.4168746 1.7233761 ] [ 2.4292619 1.7197178 5.1411668 ] [ 1.3923207 4.4467439 1.7395159 ] [ 1.1014859 3.2469936 5.0414777 ] [ 4.8472946 1.9373306 2.8207071 ] [ 4.7746819 3.7646315 2.9917305 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.66014e-10 2.4168746e-10 1.7233761e-10 ] [ 2.4292619e-10 1.7197178e-10 5.1411668e-10 ] [ 1.3923207e-10 4.4467439e-10 1.7395159e-10 ] [ 1.1014859e-10 3.2469936e-10 5.0414777e-10 ] [ 4.8472946e-10 1.9373306e-10 2.8207071e-10 ] [ 4.7746819e-10 3.7646315e-10 2.9917305e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.5986428 4.5041555 -0.0247223 ] [ -3.3537538 2.8044532 -0.134534 ] [ 0.5048858 -5.4565987 -0.1191908 ] [ 3.4148356 -3.7516826 0.109353 ] [ -2.8842309 -1.6359542 0.2368397 ] [ 2.9169061 3.5356269 -0.0677456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.591314983702503e-10 7.216452638547735e-09 -3.960949107240385e-11 ] [ -5.373305930279158e-09 4.493229351167747e-09 -2.155472295027072e-10 ] [ 8.089162249339047e-10 -8.742434866227673e-09 -1.909647131744486e-10 ] [ 5.47116976219554e-09 -6.010858150382158e-09 1.752028200143424e-10 ] [ -4.621047316968943e-09 -2.621087571939568e-09 3.794590302172857e-10 ] [ 4.673398758488907e-09 5.66469875905158e-09 -1.085404164820685e-10 ] ] } "relaxed-potential-energy" { "source-value" -29.806013 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.775449718786087e-18 } }