{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.6334389 -7.1363822 7.7579669 ] [ 0.0702492 11.0338647 -5.9772867 ] [ -12.0522155 -0.8515396 -8.3344648 ] [ -1.111867 12.4335943 9.7454201 ] [ 6.8527529 -12.9983172 -9.5011709 ] [ 4.940431 0.7549635 -0.2826205 ] [ 7.9340883 -3.2361836 6.5921558 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.062794072108527e-08 -1.143374471793327e-08 1.242963319212025e-08 ] [ 1.125516258699034e-10 1.767820005941041e-08 -9.576669006558784e-09 ] [ -1.930977790294338e-08 -1.364316838805384e-09 -1.335328464944055e-08 ] [ -1.781407312839033e-09 1.992081409997214e-08 1.56138842440944e-08 ] [ 1.09793204844994e-08 -2.082559992758252e-08 -1.52225538862053e-08 ] [ 7.915443044875565e-09 1.209584869257341e-09 -4.528079576588064e-10 ] [ 1.271181078162282e-08 -5.184937704536379e-09 1.056179790343112e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3368504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.175493018118713e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4600773 3.2995801 3.4876724 ] [ 2.6374076 5.6743105 1.3827012 ] [ 1.3279561 3.6253341 1.1168832 ] [ 2.313116 5.7475484 3.7630356 ] [ 3.3267352 2.5334293 0.3716603 ] [ 4.5850727 4.2030573 1.5428447 ] [ 3.9840342 3.7472732 3.8177557 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4600773e-10 3.2995801e-10 3.4876724e-10 ] [ 2.6374076e-10 5.6743105e-10 1.3827012e-10 ] [ 1.3279561e-10 3.6253341e-10 1.1168832e-10 ] [ 2.313116e-10 5.747548400000001e-10 3.7630356e-10 ] [ 3.3267352e-10 2.5334293e-10 3.716603e-11 ] [ 4.5850727e-10 4.2030573e-10 1.5428447e-10 ] [ 3.9840342e-10 3.7472732e-10 3.8177557e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.29e-05 -1.39e-05 5.4e-06 ] [ 3.9e-06 3e-07 -1.54e-05 ] [ 1.27e-05 6.2e-06 1.39e-05 ] [ 9.4e-06 -4.7e-06 -1.18e-05 ] [ 9.7e-06 1.95e-05 2.24e-05 ] [ -1.63e-05 4.8e-06 -1.4e-05 ] [ 3.4e-06 -1.23e-05 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.668984461632e-14 -2.227025502912e-14 8.65175375232e-15 ] [ 6.24848882112e-15 4.8065298624e-16 -2.467351996032e-14 ] [ 2.034764308416e-14 9.93349504896e-15 2.227025502912e-14 ] [ 1.506046023552e-14 -7.53023011776e-15 -1.890568412544e-14 ] [ 1.554111322176e-14 3.12424441056e-14 3.588875630592e-14 ] [ -2.611547891904e-14 7.69044777984e-15 -2.24304726912e-14 ] [ 5.44740051072e-15 -1.970677243584e-14 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }