{ "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" [ [ 0.4656555 2.854978 2.130075 ] [ 2.415045 0.7163998 1.216409 ] [ 1.531563 1.029003 2.475027 ] [ 2.019704 2.428405 0.6522284 ] [ 2.764103 2.749341 2.416687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.656555e-11 2.854978e-10 2.130075e-10 ] [ 2.415045e-10 7.163998000000001e-11 1.216409e-10 ] [ 1.531563e-10 1.029003e-10 2.475027e-10 ] [ 2.019704e-10 2.428405e-10 6.522284e-11 ] [ 2.764103e-10 2.749341e-10 2.416687e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.9093187 15.6798458 5.6034915 ] [ 28.1321791 -37.6824484 -32.0816096 ] [ -25.5555443 -17.6645339 41.4521383 ] [ -0.3140618 19.5299954 -33.4792332 ] [ 21.6467457 20.137141 18.505213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.830695144039625e-08 2.512188235850907e-08 8.977783076151522e-09 ] [ 4.507271964617838e-08 -6.037393784098237e-08 -5.140040485875284e-08 ] [ -4.094449560927871e-08 -2.830170323190904e-08 6.641364686642827e-08 ] [ -5.031824734463655e-10 3.129050203421155e-08 -5.363964471535118e-08 ] [ 3.468190987694293e-08 3.226325651995313e-08 2.964861963152423e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.836629 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.139484294408328e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0751946 2.6012814 1.798956 ] [ 2.2553759 0.3904513 0.8261786 ] [ 1.5260174 1.0565706 3.1194209 ] [ 2.1524168 2.8546689 0.4367421 ] [ 3.187066 2.8751546 2.7091288 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.51946e-12 2.6012814e-10 1.798956e-10 ] [ 2.2553759e-10 3.904513e-11 8.261786e-11 ] [ 1.5260174e-10 1.0565706e-10 3.1194209e-10 ] [ 2.1524168e-10 2.8546689e-10 4.367421e-11 ] [ 3.187066e-10 2.8751546e-10 2.7091288e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 2.2e-06 -3.27e-05 ] [ 4.1e-06 1.37e-05 1.91e-05 ] [ 2.02e-05 1.03e-05 3.4e-06 ] [ -2.26e-05 9.5e-06 2.55e-05 ] [ -1.7e-06 -3.57e-05 -1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 3.52478856576e-15 -5.239117550016001e-14 ] [ 6.568924145279999e-15 2.194981970496e-14 3.060157345728e-14 ] [ 3.236396774016e-14 1.650241919424e-14 5.44740051072e-15 ] [ -3.620919163008e-14 1.52206778976e-14 4.08555038304e-14 ] [ -2.72370025536e-15 -5.719770536256001e-14 -2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }