{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.3171 4.027839 3.848567 3.718316 3.615954 3.53162 3.459904 3.397517 3.342309 3.292798 3.247916 3.206871 3.169059 3.134008 3.101341 3.070755 3.042001 3.014871 2.989191 2.964815 2.941617 2.919487 2.898332 2.87807 2.864276 2.849758 2.834437 2.818217 2.800988 2.782615 2.762935 2.741748 2.718804 2.693784 2.666277 2.635732 2.601393 2.562182 2.516487 2.461726 2.393393 2.30246 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3171e-10 4.0278390000000003e-10 3.8485670000000004e-10 3.7183160000000004e-10 3.615954e-10 3.53162e-10 3.459904e-10 3.397517e-10 3.342309e-10 3.292798e-10 3.247916e-10 3.206871e-10 3.169059e-10 3.134008e-10 3.101341e-10 3.070755e-10 3.042001e-10 3.014871e-10 2.989191e-10 2.964815e-10 2.941617e-10 2.919487e-10 2.898332e-10 2.8780700000000004e-10 2.8642759999999997e-10 2.849758e-10 2.834437e-10 2.8182170000000004e-10 2.8009879999999997e-10 2.782615e-10 2.762935e-10 2.741748e-10 2.718804e-10 2.693784e-10 2.6662770000000003e-10 2.635732e-10 2.601393e-10 2.562182e-10 2.516487e-10 2.4617260000000004e-10 2.393393e-10 2.30246e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.359779 0.763855 1.12413 1.45812 1.77106 2.0666 2.34671 2.60204 2.82263 3.00595 3.15573 3.27939 3.38261 3.46956 3.5434 3.60656 3.6609 3.70786 3.74772 3.78015 3.80509 3.82261 3.83292 3.83628 3.83466 3.82939 3.81994 3.8057 3.78592 3.75925 3.72336 3.6752 3.61075 3.52437 3.40799 3.24965 3.03089 2.72184 2.27069 1.58013 0.441067 -1.78033 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.76429507203886e-20 1.2238306327640698e-19 1.80105481957842e-19 2.33616579356808e-19 2.83755094941204e-19 3.3110582318244004e-19 3.7598439287741397e-19 4.16892768873336e-19 4.52235183242742e-19 4.816062852972299e-19 5.05603686921282e-19 5.254162031773259e-19 5.41953870393474e-19 5.55884796226104e-19 5.6771526849156e-19 5.77834616111904e-19 5.865408439410599e-19 5.94064665414324e-19 6.00450941477448e-19 6.056468003015099e-19 6.096426288267059e-19 6.1244964228947395e-19 6.14101486399128e-19 6.14639817748152e-19 6.143802651334439e-19 6.13535918047326e-19 6.12021861128196e-19 6.0974036160138e-19 6.065712562193279e-19 6.0229825113645e-19 5.965480391970239e-19 5.888319565276799e-19 5.785059281215499e-19 5.646663263570579e-19 5.460201946905659e-19 5.2065132986781e-19 4.856021138224259e-19 4.360868449486559e-19 3.6380464610574597e-19 2.53164736468242e-19 7.06667241428478e-20 -2.85240312680922e-19 ] } }