{ "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" [ [ 0.9398812 2.717033 1.670565 ] [ 2.278193 2.647912 4.038221 ] [ 1.856764 5.001969 2.684043 ] [ 3.35912 1.891848 2.112837 ] [ 5.060666 2.631323 3.812603 ] [ 4.070835 4.158298 1.920429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.398812e-11 2.717033e-10 1.670565e-10 ] [ 2.278193e-10 2.647912e-10 4.038221e-10 ] [ 1.856764e-10 5.001969e-10 2.684043e-10 ] [ 3.35912e-10 1.891848e-10 2.112837e-10 ] [ 5.060666e-10 2.631323e-10 3.812603e-10 ] [ 4.070835e-10 4.158298e-10 1.920429e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7864255 -0.5945307 -2.1371003 ] [ -2.3615377 0.099828 4.6141287 ] [ -0.2355047 1.0547103 0.4131229 ] [ 0.0896316 -2.456601 -2.8778485 ] [ 3.4401219 -0.6152129 2.2616306 ] [ 0.8537145 2.5118063 -2.2739333 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.862169194481766e-09 -9.525431957356636e-10 -3.42401216517439e-09 ] [ -3.783600523250102e-09 1.59942089018952e-10 7.392649189408795e-09 ] [ -3.773201275371797e-10 1.68983219829913e-09 6.618958573503185e-10 ] [ 1.436056551880344e-10 -3.935908721261034e-09 -4.610821622891948e-09 ] [ 5.511682926291683e-09 -9.856797333153785e-10 3.6235317020594e-09 ] [ 1.367801424006993e-09 4.024357362993994e-09 -3.643242800534512e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.917087 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.229763160474516e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8332838 3.1477681 1.1558976 ] [ 1.9573204 2.5746346 4.4173446 ] [ 2.1301992 4.6544149 2.8490914 ] [ 2.7145121 1.6102277 2.1127527 ] [ 5.7440051 3.4600803 3.7617963 ] [ 4.1861386 3.6012575 1.9418154 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.332838000000001e-11 3.1477681e-10 1.1558976e-10 ] [ 1.9573204e-10 2.5746346e-10 4.4173446e-10 ] [ 2.1301992e-10 4.6544149e-10 2.8490914e-10 ] [ 2.7145121e-10 1.6102277e-10 2.1127527e-10 ] [ 5.7440051e-10 3.4600803e-10 3.7617963e-10 ] [ 4.1861386e-10 3.6012575e-10 1.9418154e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.99e-05 2e-05 -4.79e-05 ] [ 3.1e-05 3.9e-06 4.65e-05 ] [ 3.49e-05 -3.4e-05 -3.19e-05 ] [ 4.14e-05 4.8e-06 7.6e-06 ] [ -8.05e-05 -1.66e-05 -6.12e-05 ] [ 3.32e-05 2.18e-05 8.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.597038037659999e-14 3.204353268e-14 -7.674426076859999e-14 ] [ 4.966747565399999e-14 6.248488872599999e-15 7.450121348099999e-14 ] [ 5.59159645266e-14 -5.447400555599999e-14 -5.11094346246e-14 ] [ 6.633011264759999e-14 7.690447843199998e-15 1.21765424184e-14 ] [ -1.28975219037e-13 -2.65961321244e-14 -9.805321000079999e-14 ] [ 5.31922642488e-14 3.492745062119999e-14 1.392291494946e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.656156 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.66861039554589e-18 } }