{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8594843 0.7172344 0.0157799 ] [ 0.2882733 0.8856534 2.226981 ] [ 1.449769 2.87204 1.321697 ] [ 2.751005 0.6869835 1.2059 ] [ 2.852604 2.214321 2.896583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.594843e-11 7.172344000000001e-11 1.57799e-12 ] [ 2.882733e-11 8.856534000000001e-11 2.226981e-10 ] [ 1.449769e-10 2.87204e-10 1.321697e-10 ] [ 2.751005e-10 6.869835e-11 1.2059e-10 ] [ 2.852604e-10 2.214321e-10 2.896583e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3481121 -7.5312794 -14.4875653 ] [ -22.493711 -8.1871195 11.7713317 ] [ -5.1778431 26.5263665 -2.0865216 ] [ 23.2443837 -16.6305395 -5.7895546 ] [ 10.7752825 5.8225719 10.5923099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.017079679283759e-08 -1.206643977939265e-08 -2.321163841597334e-08 ] [ -3.603889787923179e-08 -1.311721145459579e-08 1.885975244542192e-08 ] [ -8.295819160990596e-09 4.249992424107233e-08 -3.34297612631421e-09 ] [ 3.72416081290446e-08 -2.664506157819092e-08 -9.275889024965094e-09 ] [ 1.726390570401538e-08 9.328788571107037e-09 1.697075128204839e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.3331215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.174895582478583e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0297497 -0.1048064 0.4685715 ] [ -0.3535916 1.5595617 1.389643 ] [ 1.0184561 3.1074033 2.5093745 ] [ 3.2567505 0.4144088 1.0190343 ] [ 3.2497709 2.3996649 2.2803176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0297497e-10 -1.048064e-11 4.685715e-11 ] [ -3.535916e-11 1.5595617e-10 1.389643e-10 ] [ 1.0184561e-10 3.1074033e-10 2.5093745e-10 ] [ 3.2567505e-10 4.144088000000001e-11 1.0190343e-10 ] [ 3.2497709e-10 2.3996649e-10 2.2803176e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.5e-06 -9e-07 -1.6e-06 ] [ 4e-07 1e-07 1.3e-06 ] [ -1.8e-06 6e-07 -8e-07 ] [ 2.3e-06 -1e-06 -3e-07 ] [ 1.6e-06 1.1e-06 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.005441552e-15 -1.44195895872e-15 -2.56348259328e-15 ] [ 6.408706483200001e-16 1.6021766208e-16 2.08282960704e-15 ] [ -2.88391791744e-15 9.6130597248e-16 -1.28174129664e-15 ] [ 3.68500622784e-15 -1.6021766208e-15 -4.8065298624e-16 ] [ 2.56348259328e-15 1.76239428288e-15 2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.566682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853186748062819e-18 } }