{ "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" [ [ 1.593193 1.569284 2.84459 ] [ 1.603337 4.216737 3.188357 ] [ 3.675145 1.205287 1.773064 ] [ 3.545696 2.526378 4.008338 ] [ 3.206595 3.44318 2.117333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.593193e-10 1.569284e-10 2.84459e-10 ] [ 1.603337e-10 4.216737e-10 3.188357e-10 ] [ 3.675145e-10 1.205287e-10 1.773064e-10 ] [ 3.545696e-10 2.526378e-10 4.008338e-10 ] [ 3.206595e-10 3.44318e-10 2.117333e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.0120247 -20.3121887 1.683253 ] [ -14.7080989 16.2077395 2.2434738 ] [ 7.7017707 -14.7629986 -13.1679324 ] [ 16.7451971 -2.1011899 26.5639244 ] [ 13.2731559 20.9686378 -17.3227187 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.686932797161214e-08 -3.254371385241795e-08 2.696868603491463e-09 ] [ -2.35649721939942e-08 2.596766130291668e-08 3.594441271737335e-09 ] [ 1.233959695430245e-08 -2.365293120982313e-08 -2.109735343555483e-08 ] [ 2.682876330430796e-08 -3.36647733364109e-09 4.256009863037867e-08 ] [ 2.126594006721358e-08 3.359546125318315e-08 -2.775405490983497e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.346535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.978132972488893e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6275073 1.4571946 3.36621 ] [ 1.266756 3.9115022 2.6096108 ] [ 3.1631441 1.3972909 1.277087 ] [ 3.7444759 2.4677281 4.4723043 ] [ 3.8220827 3.7271502 2.2064699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6275073e-10 1.4571946e-10 3.36621e-10 ] [ 1.266756e-10 3.9115022e-10 2.6096108e-10 ] [ 3.1631441e-10 1.3972909e-10 1.277087e-10 ] [ 3.7444759e-10 2.4677281e-10 4.4723043e-10 ] [ 3.8220827e-10 3.7271502e-10 2.2064699e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-05 -1.75e-05 8e-07 ] [ 2.09e-05 -1.54e-05 1.48e-05 ] [ 2e-06 2.8e-06 1.47e-05 ] [ -1e-05 2.9e-06 -8.5e-06 ] [ 1.52e-05 2.71e-05 -2.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-14 -2.8038090864e-14 1.28174129664e-15 ] [ 3.348549137472e-14 -2.467351996032e-14 2.371221398784e-14 ] [ 3.2043532416e-15 4.48609453824e-15 2.355199632576e-14 ] [ -1.6021766208e-14 4.646312200320001e-15 -1.36185012768e-14 ] [ 2.435308463616e-14 4.341898642368e-14 -3.492745033344e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5001568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.522092911889414e-18 } }