{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0931801 -3.7104705 0.1667707 ] [ -3.2928599 -8.0605076 -0.7049971 ] [ -9.7093332 2.0092632 -1.0346309 ] [ 3.5739838 9.5900788 5.4184105 ] [ -0.5167435 0.0502522 -1.2226685 ] [ 4.138787 3.2820676 -0.2667071 ] [ 3.7129857 -3.1606838 -2.3561775 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.353644246973783e-09 -5.944829136246296e-09 2.671961187758238e-10 ] [ -5.275743190815576e-09 -1.291435693489942e-08 -1.129529880657761e-09 ] [ -1.555606678476045e-08 3.219194550596069e-09 -1.657661452794391e-09 ] [ 5.726153334654529e-09 1.536500017157876e-08 8.681250696520255e-09 ] [ -8.279143614713789e-10 8.051290064709478e-11 -1.958930901827829e-09 ] [ 6.631067824502958e-09 5.258452019928458e-09 -4.273118837419013e-10 ] [ 5.948858930916132e-09 -5.063973731822329e-09 -3.775012536056535e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.134537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.585037818180846e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3771187 0.8177923 1.9841598 ] [ 1.9174505 2.4283199 3.1537653 ] [ 1.4785231 4.4559688 1.8768499 ] [ 3.0461663 4.6211374 3.916324 ] [ 4.4095888 2.5123501 3.4131005 ] [ 3.649332 5.4449486 1.6029114 ] [ 3.3014116 2.9840475 0.8137946 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3771187e-10 8.177923000000001e-11 1.9841598e-10 ] [ 1.9174505e-10 2.4283199e-10 3.1537653e-10 ] [ 1.4785231e-10 4.4559688e-10 1.8768499e-10 ] [ 3.0461663e-10 4.6211374e-10 3.916324e-10 ] [ 4.4095888e-10 2.5123501e-10 3.4131005e-10 ] [ 3.649332e-10 5.4449486e-10 1.6029114e-10 ] [ 3.3014116e-10 2.9840475e-10 8.137946e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-07 -5.89e-05 8.1e-06 ] [ -1.07e-05 7.7e-06 -3.1e-05 ] [ -2.48e-05 4.46e-05 -7.1e-06 ] [ 9.8e-06 -2.25e-05 2.01e-05 ] [ 4.51e-05 1.62e-05 3.53e-05 ] [ -1.05e-05 2.86e-05 -5.8e-06 ] [ -9.4e-06 -1.56e-05 -1.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883169999999e-16 -9.436820374259999e-14 1.29776307354e-14 ] [ -1.71432899838e-14 1.23367600818e-14 -4.966747565399999e-14 ] [ -3.97339805232e-14 7.145707787639999e-14 -1.13754541014e-14 ] [ 1.57013310132e-14 -3.6048974265e-14 3.22037503434e-14 ] [ 7.225816619339999e-14 2.59552614708e-14 5.655683518019999e-14 ] [ -1.6822854657e-14 4.58222517324e-14 -9.2926244772e-15 ] [ -1.50604603596e-14 -2.49939554904e-14 -3.140266202639999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.361861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.422547455295587e-18 } }