{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.2093251 0.7553113 -10.3667875 ] [ -2.6350424 -4.7617132 0.3505077 ] [ 7.0317397 -5.9484056 1.8149318 ] [ 4.6296657 9.7994582 11.8378935 ] [ 5.4197614 -0.5714464 -2.9651761 ] [ -4.366379 -1.8571999 -2.7994646 ] [ -0.8704203 2.5839956 2.1280952 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.475496549012971e-08 1.210142116256164e-09 -1.660942470214327e-08 ] [ -4.221803362879281e-09 -7.629105626849368e-09 5.615752469770817e-10 ] [ 1.126608904371017e-08 -9.53039646187475e-09 2.907841322263561e-09 ] [ 7.417542207771253e-09 1.57004629538997e-08 1.896639636148048e-08 ] [ 8.683415076935126e-09 -9.155580696634175e-10 -4.750735863115247e-09 ] [ -6.995710408988286e-09 -2.975562284447136e-09 -4.485236769830156e-09 ] [ -1.39456706641927e-09 4.14001737267881e-09 3.409584404367557e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7306947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.078376177892764e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4546433 1.5672121 1.367239 ] [ 2.2601139 0.3769231 3.1118678 ] [ 3.7917893 1.4128729 4.0106257 ] [ 4.0805803 3.397569 2.8679487 ] [ 6.3250826 3.5317953 1.9235023 ] [ 2.4919469 3.3338935 1.1945339 ] [ 3.7071757 5.3047917 4.3413336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4546433e-10 1.5672121e-10 1.367239e-10 ] [ 2.2601139e-10 3.769231e-11 3.1118678e-10 ] [ 3.7917893e-10 1.4128729e-10 4.0106257e-10 ] [ 4.0805803e-10 3.397569e-10 2.8679487e-10 ] [ 6.3250826e-10 3.5317953e-10 1.9235023e-10 ] [ 2.4919469e-10 3.3338935e-10 1.1945339e-10 ] [ 3.7071757e-10 5.3047917e-10 4.3413336e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-05 -3.6e-05 -3.47e-05 ] [ -3.4e-05 2.7e-05 1.22e-05 ] [ 2.4e-06 -1.63e-05 3e-06 ] [ 6.02e-05 4.39e-05 5.5e-06 ] [ -7e-06 -1.6e-06 2.4e-06 ] [ -4.82e-05 1.14e-05 3.08e-05 ] [ -3.3e-06 -2.84e-05 -1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806529901999999e-14 -5.7678358824e-14 -5.55955291998e-14 ] [ -5.447400555599999e-14 4.325876911799999e-14 1.95465549348e-14 ] [ 3.845223921599999e-15 -2.61154791342e-14 4.806529901999999e-15 ] [ 9.645103336679999e-14 7.03355542326e-14 8.811971486999999e-15 ] [ -1.1215236438e-14 -2.5634826144e-15 3.845223921599999e-15 ] [ -7.72249137588e-14 1.82648136276e-14 4.93470403272e-14 ] [ -5.2871828922e-15 -4.550181640559999e-14 -3.06015737094e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.039816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.890297167685934e-18 } }