{ "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" [ [ 0.1126891 1.464287 0.6414025 ] [ 1.365449 0.1265984 2.502806 ] [ 0.3364486 2.37729 2.80341 ] [ 2.851665 1.424041 0.0715282 ] [ 2.597469 0.5436052 1.609588 ] [ 2.328633 2.330176 2.375244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.126891e-11 1.464287e-10 6.414025e-11 ] [ 1.365449e-10 1.265984e-11 2.502806e-10 ] [ 3.364486e-11 2.37729e-10 2.80341e-10 ] [ 2.851665e-10 1.424041e-10 7.15282e-12 ] [ 2.597469e-10 5.436052e-11 1.609588e-10 ] [ 2.328633e-10 2.330176e-10 2.375244e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.326636 -0.9641862 -5.4099557 ] [ -150.9926165 -47.6340994 92.8128549 ] [ -22.113602 -0.6222408 8.2966847 ] [ -2.1542358 33.8432148 -63.9617542 ] [ 151.154401 -8.268578 -36.4843043 ] [ 25.4326893 23.6458896 4.7464746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.125505183511629e-09 -1.544796587737993e-09 -8.667704542103699e-09 ] [ -2.419168400697203e-07 -7.631824041154331e-08 1.487025862304827e-07 ] [ -3.542989612607612e-08 -9.969396622678887e-10 1.329275425648906e-08 ] [ -3.451466234450385e-09 5.422280752527255e-08 -1.024780272045962e-07 ] [ 2.421760474132282e-07 -1.324772235886122e-08 -5.84542993756129e-08 ] [ 4.074766020053032e-08 3.788489149513787e-08 7.604690635341032e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 49.709235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.964297415485309e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.048502 1.3851552 0.4205527 ] [ 0.8261858 -0.1495091 2.4226377 ] [ 0.331903 2.4165731 2.7958211 ] [ 2.4008764 1.2599549 -0.4622818 ] [ 3.170359 0.5884231 1.8225295 ] [ 2.8145275 2.7654004 3.0047195 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.8502e-12 1.3851552e-10 4.205527e-11 ] [ 8.261858e-11 -1.495091e-11 2.4226377e-10 ] [ 3.31903e-11 2.4165731e-10 2.7958211e-10 ] [ 2.4008764e-10 1.2599549e-10 -4.622818e-11 ] [ 3.170359e-10 5.884231e-11 1.8225295e-10 ] [ 2.8145275e-10 2.7654004e-10 3.004719500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 1.95e-05 1.52e-05 ] [ 7.1e-06 9.4e-06 5.3e-06 ] [ 1.6e-06 -1.5e-05 -1.42e-05 ] [ -1e-07 -3.23e-05 -2.14e-05 ] [ -8.1e-06 2.48e-05 -1.35e-05 ] [ -7.7e-06 -6.4e-06 2.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.169588933184e-14 3.12424441056e-14 2.435308463616e-14 ] [ 1.137545400768e-14 1.506046023552e-14 8.491536090240001e-15 ] [ 2.56348259328e-15 -2.4032649312e-14 -2.275090801536e-14 ] [ -1.6021766208e-16 -5.175030485184e-14 -3.428657968511999e-14 ] [ -1.297763062848e-14 3.973398019584e-14 -2.16293843808e-14 ] [ -1.233675998016e-14 -1.025393037312e-14 4.582225135488e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.625291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.144318241659665e-18 } }